Molecule FYI-1013604

A

Molecule Summary:

ID: FYI-1013604
Names:
InChIKey: MOMUEWGOCOPEKY-UHFFFAOYSA-N
SMILES: CC(C)(C)c2cc(CCC(=O)OCCS(=O)CCOC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)cc(C(C)(C)C)c2O

Received at FYIcenter.com on: 2025-01-16

Molecule ID: FYI-1013604 Edit

Molecule Structure InChIKey: MOMUEWGOCOPEKY-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(C)c2cc(CCC(=O)OCCS(=O)CCOC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)cc(C(C)(C)C)c2O

Download SDF Download SVG Structure in 2D SDF:

FYI-1013604
FYIcenter.com

 46 47  0  0  0  0  0  0  0  0999 V2000
   24.7612    6.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6737    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1612    4.3876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2488    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2488    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4364    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6363    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0374    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    4.3876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    6.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15 12  1  0  0  0  0
 16  7  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 27  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 33 32  1  0  0  0  0
 34 33  2  0  0  0  0
 35 34  1  0  0  0  0
 36 35  2  0  0  0  0
 36 31  1  0  0  0  0
 37 35  1  0  0  0  0
 38 37  1  0  0  0  0
 39 37  1  0  0  0  0
 40 37  1  0  0  0  0
 41 34  1  0  0  0  0
 42 33  1  0  0  0  0
 43 42  1  0  0  0  0
 44 42  1  0  0  0  0
 45 42  1  0  0  0  0
 23 46  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013604-3D
FYIcenter.com

104105  0  0  0  0  0  0  0  0999 V2000
    8.9569   -1.0872   -2.0183 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4455   -0.8943   -2.2475 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7000   -1.5183   -1.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1158    0.6185   -2.1657 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0520   -1.5527   -3.6016 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6837   -2.9126   -3.6380 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2996   -3.5470   -4.8272 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9829   -5.0273   -4.8346 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5147   -5.3510   -4.5621 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2926   -6.8478   -4.5901 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1222   -7.6846   -4.2583 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0297   -7.1370   -5.0139 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6744   -8.5342   -4.9875 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1942   -9.2584   -6.2237 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7778  -11.0281   -6.1335 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2811  -11.1341   -6.1349 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3445  -11.5025   -7.7908 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8428  -11.3134   -7.9714 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2503  -11.7697   -9.2610 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0668  -10.8938  -10.2782 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5483   -9.7888  -10.1691 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6515  -11.4177  -11.5870 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6393  -12.9446  -11.6669 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1997  -13.5165  -12.9493 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5639  -13.7975  -13.0647 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1110  -14.4757  -14.1747 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6262  -14.8223  -14.1952 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3734  -14.3039  -12.9335 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8539  -16.3489  -14.2422 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3632  -14.1730  -15.3899 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1898  -14.8472  -15.1904 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5986  -15.6787  -16.1949 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8199  -14.4858  -15.1704 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8111  -14.8067  -16.3043 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1416  -16.1625  -16.0092 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7086  -13.7150  -16.3963 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4177  -14.8668  -17.7276 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3537  -13.8387  -14.0092 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2480   -2.7992   -6.0136 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6518   -1.4494   -6.0727 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5530   -0.6776   -7.4180 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1375   -0.0664   -7.5078 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5944    0.4540   -7.5998 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7459   -1.5834   -8.6639 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0721   -0.8719   -4.8466 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5574    0.4041   -4.8608 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2640   -0.6740   -1.0497 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5507   -0.5899   -2.7931 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2298   -2.1491   -2.0221 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9606   -0.9983   -0.1070 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9586   -2.5689   -0.8754 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6135   -1.4448   -1.1623 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2582    1.0053   -1.1495 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0745    0.8101   -2.4503 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7671    1.2339   -2.7920 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7165   -3.5161   -2.7348 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6225   -5.5271   -4.0947 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2818   -5.4535   -5.8011 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8848   -4.8779   -5.3236 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2019   -4.9793   -3.5803 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5802   -8.5836   -4.9478 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0383   -8.9995   -4.0620 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2802   -9.1565   -6.2818 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7686   -8.8232   -7.1331 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7655  -10.9543   -8.5401 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0948  -12.5625   -7.9233 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3919  -11.9016   -7.2286 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1610  -10.2736   -7.8383 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6711  -11.0336  -11.6739 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0593  -11.0043  -12.4120 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6158  -13.3108  -11.5259 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2128  -13.3728  -10.8334 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1819  -13.5131  -12.2181 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9958  -14.7753  -12.0183 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2726  -13.2160  -12.8295 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4477  -14.5161  -12.9819 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4162  -16.8432  -13.3679 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9258  -16.5832  -14.2543 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4274  -16.8155  -15.1339 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2596  -13.0825  -15.3797 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0218  -14.5319  -16.3616 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4373  -14.3999  -15.3480 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2758  -15.2073  -16.7005 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5888  -16.1435  -15.0630 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8822  -16.9680  -15.9423 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4313  -16.4323  -16.8000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0569  -13.6940  -15.5173 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0459  -13.8828  -17.2534 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1558  -12.7200  -16.5118 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0691  -15.7311  -17.8807 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9818  -13.9568  -17.9598 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6282  -14.9684  -18.4836 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2996  -13.6076  -13.8889 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8994   -3.3115   -6.9058 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9632    0.6687   -6.7139 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3622   -0.8369   -7.4185 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9842    0.4409   -8.4678 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4034    1.3207   -6.9620 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5768    0.8523   -8.6217 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6094    0.0897   -7.4045 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9883   -2.3681   -8.7461 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7351   -2.0549   -8.6604 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6640   -0.9964   -9.5883 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7873    0.9771   -5.0188 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 47  1  0  0  0  0
  1 48  1  0  0  0  0
  1 49  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3 50  1  0  0  0  0
  3 51  1  0  0  0  0
  3 52  1  0  0  0  0
  4 53  1  0  0  0  0
  4 54  1  0  0  0  0
  4 55  1  0  0  0  0
  5  6  1  0  0  0  0
  5 45  2  0  0  0  0
  6  7  2  0  0  0  0
  6 56  1  0  0  0  0
  7  8  1  0  0  0  0
  7 39  1  0  0  0  0
  8  9  1  0  0  0  0
  8 57  1  0  0  0  0
  8 58  1  0  0  0  0
  9 10  1  0  0  0  0
  9 59  1  0  0  0  0
  9 60  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 61  1  0  0  0  0
 13 62  1  0  0  0  0
 14 15  1  0  0  0  0
 14 63  1  0  0  0  0
 14 64  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 65  1  0  0  0  0
 17 66  1  0  0  0  0
 18 19  1  0  0  0  0
 18 67  1  0  0  0  0
 18 68  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 69  1  0  0  0  0
 22 70  1  0  0  0  0
 23 24  1  0  0  0  0
 23 71  1  0  0  0  0
 23 72  1  0  0  0  0
 24 25  1  0  0  0  0
 24 38  2  0  0  0  0
 25 26  2  0  0  0  0
 25 73  1  0  0  0  0
 26 27  1  0  0  0  0
 26 31  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 28 74  1  0  0  0  0
 28 75  1  0  0  0  0
 28 76  1  0  0  0  0
 29 77  1  0  0  0  0
 29 78  1  0  0  0  0
 29 79  1  0  0  0  0
 30 80  1  0  0  0  0
 30 81  1  0  0  0  0
 30 82  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 32 83  1  0  0  0  0
 33 34  1  0  0  0  0
 33 38  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 34 37  1  0  0  0  0
 35 84  1  0  0  0  0
 35 85  1  0  0  0  0
 35 86  1  0  0  0  0
 36 87  1  0  0  0  0
 36 88  1  0  0  0  0
 36 89  1  0  0  0  0
 37 90  1  0  0  0  0
 37 91  1  0  0  0  0
 37 92  1  0  0  0  0
 38 93  1  0  0  0  0
 39 40  2  0  0  0  0
 39 94  1  0  0  0  0
 40 41  1  0  0  0  0
 40 45  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
 41 44  1  0  0  0  0
 42 95  1  0  0  0  0
 42 96  1  0  0  0  0
 42 97  1  0  0  0  0
 43 98  1  0  0  0  0
 43 99  1  0  0  0  0
 43100  1  0  0  0  0
 44101  1  0  0  0  0
 44102  1  0  0  0  0
 44103  1  0  0  0  0
 45 46  1  0  0  0  0
 46104  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-02-16, 1047👍, 0💬