Molecule FYI-1009780

A

Molecule Summary:

ID: FYI-1009780
Names:
InChIKey: RTTRTGCIDAVPJR-UHFFFAOYSA-N
SMILES: O=c2cc(c1ccccc1)oc3c(O)c(O)cc(Cl)c23

Received at FYIcenter.com on: 2024-05-17

Molecule ID: FYI-1009780 Edit

Molecule Structure InChIKey: RTTRTGCIDAVPJR-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c2cc(c1ccccc1)oc3c(O)c(O)cc(Cl)c23

Download SDF Download SVG Structure in 2D SDF:

FYI-1009780
FYIcenter.com

 20 22  0  0  0  0  0  0  0  0999 V2000
    8.4870    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    5.6000    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    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    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
    6.0623    1.4000    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
    6.0623    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    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
    1.2125    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 O   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  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  2  1  0  0  0  0
 12 10  1  0  0  0  0
 13  9  1  0  0  0  0
 14  6  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 14  1  0  0  0  0
 20  4  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009780-3D
FYIcenter.com

 29 31  0  0  0  0  0  0  0  0999 V2000
    0.9753   -0.0650    0.0932 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1919    0.0315    0.0783 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9911   -1.1997    0.0648 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3245   -1.1192    0.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1004   -2.3633    0.0509 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4723   -2.9533   -1.1639 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0552   -4.2230   -1.1803 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2725   -4.9079    0.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9262   -4.3178    1.2292 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3443   -3.0483    1.2488 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0454    0.0560    0.0639 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3388    1.2411    0.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0901    2.4174    0.0717 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4597    2.4074    0.0694 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4560    3.6545    0.0741 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1880    4.8058    0.0736 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0732    3.7410    0.0762 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3050    2.5703    0.0771 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5914    2.7980    0.0774 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9358    1.3116    0.0754 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4485   -2.1374    0.0601 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2773   -2.4472   -2.1067 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3174   -4.6890   -2.1271 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7013   -5.9072   -0.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0871   -4.8567    2.1598 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0509   -2.6146    2.2024 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7397    1.4717    0.0702 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1236    4.5200    0.0718 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5977    4.7190    0.0767 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  2  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  2  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  2  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 20  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 27  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 28  1  0  0  0  0
 17 18  2  0  0  0  0
 17 29  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
$$$$

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