Molecule FYI-1003314

A

Molecule Summary:

ID: FYI-1003314
Names:
InChIKey: GIKDOVQLXOIXCZ-RGGAHWMASA-L
SMILES: C=Cc1c(C)c2cc7c(C)c(CCC(=O)O)c8cc4c(CCC(=O)O)c(C)c3cc6c(C=C)c(C)c5cc1n2[Zn](n34)([n+]56)[n+]78

Received at FYIcenter.com on: 2023-05-31

Molecule ID: FYI-1003314 Edit

Molecule Structure InChIKey: GIKDOVQLXOIXCZ-RGGAHWMASA-L

Molecule Structure SMILES String: C=Cc1c(C)c2cc7c(C)c(CCC(=O)O)c8cc4c(CCC(=O)O)c(C)c3cc6c(C=C)c(C)c5cc1n2[Zn](n34)([n+]56)[n+]78

Download SDF Download SVG Structure in 2D SDF:

FYI-1003314
FYIcenter.com

 43 50  0  0  0  0  0  0  0  0999 V2000
    6.8247    9.9995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5328    8.6261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2501    8.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0341    8.7571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8181    8.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6022    8.7571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6022   10.1612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3862    8.0550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3968    6.6587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7702    6.3667    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.4723    7.5827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9051    7.3650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4761    6.0823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8115    5.6484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9474    6.4738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8115    4.2444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9474    3.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2301    3.9902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4761    3.8105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7650    2.5865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2832    2.6286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6557    1.3036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1341    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8636    1.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2232    1.7363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6470    0.3977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2688    2.9826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6828    3.7114    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.2041    5.0314    0.0000 Zn  0  0  0  0  0  0  0  0  0  0  0  0
    8.6509    4.9464    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1441    4.0671    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4113    2.5916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1351    1.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1287    2.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8367    0.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1892    3.0639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7928    2.9171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2217    1.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8253    1.4877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    0.2051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8912    4.2799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4573    5.6152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  2  0  0  0  0
  9  3  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 11  2  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 16  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 22  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 24  1  0  0  0  0
 28 27  2  0  0  0  0
 28 21  1  0  0  0  0
 29 28  1  0  0  0  0
 29 10  1  0  0  0  0
 30 29  1  0  0  0  0
 30 13  1  0  0  0  0
 30 19  1  0  0  0  0
 31 29  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  2  0  0  0  0
 33 27  1  0  0  0  0
 34 32  1  0  0  0  0
 35 34  1  0  0  0  0
 36 34  2  0  0  0  0
 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 39 38  1  0  0  0  0
 40 39  1  0  0  0  0
 41 39  2  0  0  0  0
 42 36  1  0  0  0  0
 42 31  1  0  0  0  0
 43 42  2  0  0  0  0
 43  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003314-3D
FYIcenter.com

 75 82  0  0  0  0  0  0  0  0999 V2000
    0.7826    0.2405   -0.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0556    0.2905   -0.3814 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9681    1.4515   -0.2208 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8998    2.6262    0.5508 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8910    3.0668    1.5650 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9904    3.3814    0.1357 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1503    4.8743    0.0973 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2305    5.4670   -0.5004 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5593    6.8695   -0.6308 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6019    7.9724   -0.9585 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8955    6.8922   -0.4954 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8320    8.0604   -0.6910 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8831    7.7427   -1.7914 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2973    7.3909   -3.1413 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5078    6.2876   -3.6279 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5760    8.2870   -3.8498 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3051    5.4824   -0.3531 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.8732    0.3812 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7482    3.5466    0.3438 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7720    2.8137    0.9475 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6412    3.2908    2.0868 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7526    3.6155    3.3130 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5456    4.1072    4.4950 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5020    3.4973    5.5519 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2739    5.2408    4.4177 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7930    1.5860    0.2636 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6808    0.3904    0.4519 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7997    1.6849   -0.7016 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6293    0.9615   -1.8378 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5040    1.2651   -2.8104 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2244    0.7245   -4.1762 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3195    0.3519   -5.1114 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2129    0.1463   -6.4292 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8857    0.8678   -4.3413 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9148    0.6962   -5.4809 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4595    1.3762   -3.0645 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3604    1.0280   -2.3434 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1003    1.6051   -0.9902 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8367    2.6023   -0.5214 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4354    3.0500   -1.0962 Zn  0  0  3  0  0  0  0  0  0  0  0  0
    8.0204    2.7099   -0.3954 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5416    2.0250   -2.4892 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.3831    4.7558   -0.8385 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.2253   -0.6760   -0.1685 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2642    1.0798    0.4175 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4780   -0.5967   -0.8476 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1884    2.2684    1.8408 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3546    3.9790    1.2360 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399    3.2895    2.5064 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3456    5.4962    0.4742 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5734    7.5589   -1.0480 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8716    8.3862   -1.9554 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6207    8.7751   -0.1986 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3725    8.2640    0.2535 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2581    8.9666   -0.9800 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5079    6.8892   -1.4486 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5583    8.6140   -1.9224 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4226    9.1844   -3.5256 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1372    5.5385    0.9399 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2050    4.1909    1.7703 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3672    2.5015    2.3798 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1826    2.7053    3.6086 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0150    4.4056    3.0585 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3085    5.7679    3.6080 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3633    0.5089    1.3142 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2529    0.1682   -0.4686 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0172   -0.4771    0.6734 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3198    0.1691   -2.0862 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3223    0.3177   -4.6958 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2953    0.2058   -6.9789 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1046   -0.0594   -7.0106 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3511    0.4290   -6.4454 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4171    1.6861   -5.6346 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1330   -0.0378   -5.2195 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6241    0.3722   -2.7866 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 44  1  0  0  0  0
  1 45  1  0  0  0  0
  2  3  1  0  0  0  0
  2 46  1  0  0  0  0
  3  4  1  0  0  0  0
  3 38  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5 47  1  0  0  0  0
  5 48  1  0  0  0  0
  5 49  1  0  0  0  0
  6  7  1  0  0  0  0
  6 39  1  0  0  0  0
  7  8  2  0  0  0  0
  7 50  1  0  0  0  0
  8  9  1  0  0  0  0
  8 43  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 51  1  0  0  0  0
 10 52  1  0  0  0  0
 10 53  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 12 54  1  0  0  0  0
 12 55  1  0  0  0  0
 13 14  1  0  0  0  0
 13 56  1  0  0  0  0
 13 57  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 58  1  0  0  0  0
 17 18  1  0  0  0  0
 17 43  2  0  0  0  0
 18 19  2  0  0  0  0
 18 59  1  0  0  0  0
 19 20  1  0  0  0  0
 19 41  1  0  0  0  0
 20 21  1  0  0  0  0
 20 26  2  0  0  0  0
 21 22  1  0  0  0  0
 21 60  1  0  0  0  0
 21 61  1  0  0  0  0
 22 23  1  0  0  0  0
 22 62  1  0  0  0  0
 22 63  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 64  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 65  1  0  0  0  0
 27 66  1  0  0  0  0
 27 67  1  0  0  0  0
 28 29  2  0  0  0  0
 28 41  1  0  0  0  0
 29 30  1  0  0  0  0
 29 68  1  0  0  0  0
 30 31  1  0  0  0  0
 30 42  2  0  0  0  0
 31 32  1  0  0  0  0
 31 34  2  0  0  0  0
 32 33  2  0  0  0  0
 32 69  1  0  0  0  0
 33 70  1  0  0  0  0
 33 71  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 35 72  1  0  0  0  0
 35 73  1  0  0  0  0
 35 74  1  0  0  0  0
 36 37  2  0  0  0  0
 36 42  1  0  0  0  0
 37 38  1  0  0  0  0
 37 75  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 40 43  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-06-19, 1668👍, 0💬