Molecule FYI-1014155

A

Molecule Summary:

ID: FYI-1014155
Names:
InChIKey: NZVAUSJFAWTSTN-UHFFFAOYSA-N
SMILES: CC(C)(c1ccccc1)c3cc(C(C)(C)c2ccccc2)c(O)cc3O

Received at FYIcenter.com on: 2025-03-06

Molecule ID: FYI-1014155 Edit

Molecule Structure InChIKey: NZVAUSJFAWTSTN-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(c1ccccc1)c3cc(C(C)(C)c2ccccc2)c(O)cc3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014155
FYIcenter.com

 26 28  0  0  0  0  0  0  0  0999 V2000
    7.4621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7621    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.3000    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
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    9.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   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  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  2  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15 10  1  0  0  0  0
 16 15  1  0  0  0  0
 17 13  1  0  0  0  0
 18 12  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
 21 18  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 26 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014155-3D
FYIcenter.com

 52 54  0     0  0  0  0  0  0999 V2000
    2.1623    0.8902   -2.1532 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1943   -1.0213   -2.0866 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2938   -0.9755    0.7678 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2693    1.0256    0.6982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0626   -0.4610   -0.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0929    0.4859   -0.0462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0123    0.0228    0.6677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5441   -0.2301    0.4431 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5794    0.2229    0.4039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0463   -0.8837    2.3145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3341   -2.5258    0.4909 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4242    2.5464    0.3471 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1416    1.0180    2.2676 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0912    0.4415   -1.4405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1211   -0.5289   -1.4067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0158   -0.0659   -2.1207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6091    1.1476    0.6526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6484   -0.9103   -0.0706 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5833   -1.1014    0.7138 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6213    0.9057   -0.1415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7783    1.8449    0.3488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8176   -0.2128   -0.3744 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7512   -1.8174    0.4511 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7892    0.1896   -0.4041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8825    1.1647   -0.1647 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8541   -1.1719   -0.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0049    0.0675    1.7419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9169   -1.2790    2.8557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1865   -1.4829    2.6392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9158    0.1451    2.6708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0852   -3.0161    1.1233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5666   -2.7924   -0.5440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3678   -2.9902    0.7277 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2126    3.0265    0.9408 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6289    2.7494   -0.7084 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4935    3.0808    0.5821 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0520    1.4149    2.7357 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3103    1.6494    2.6051 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9898    0.0138    2.6800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0172   -0.1003   -3.2076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7611    1.7002    1.0478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6523   -1.9797   -0.2499 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7311   -1.6166    1.1426 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6311    1.9565   -0.3942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8287    2.9176    0.5109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6781   -0.7417   -0.7738 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8013   -2.8778    0.6802 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6485    0.6910   -0.8401 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9818    0.7799   -3.1024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0163   -0.9717   -3.0413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7928    1.7078   -0.4015 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7632   -1.7296   -0.3130 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 49  1  0  0  0  0
  2 15  1  0  0  0  0
  2 50  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  7  2  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  6 14  2  0  0  0  0
  7 27  1  0  0  0  0
  8 17  2  0  0  0  0
  8 18  1  0  0  0  0
  9 19  2  0  0  0  0
  9 20  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  2  0  0  0  0
 16 40  1  0  0  0  0
 17 21  1  0  0  0  0
 17 41  1  0  0  0  0
 18 22  2  0  0  0  0
 18 42  1  0  0  0  0
 19 23  1  0  0  0  0
 19 43  1  0  0  0  0
 20 24  2  0  0  0  0
 20 44  1  0  0  0  0
 21 25  2  0  0  0  0
 21 45  1  0  0  0  0
 22 25  1  0  0  0  0
 22 46  1  0  0  0  0
 23 26  2  0  0  0  0
 23 47  1  0  0  0  0
 24 26  1  0  0  0  0
 24 48  1  0  0  0  0
 25 51  1  0  0  0  0
 26 52  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-03-12, 1443👍, 0💬