Molecule FYI-1006114

A

Molecule Summary:

ID: FYI-1006114
Names:
InChIKey: LVCYVRRZAOZRPF-UHFFFAOYSA-N
SMILES: O=c2cc(c1ccc(O)cc1)oc3c(O)cc(O)cc23

Received at FYIcenter.com on: 2023-11-27

Molecule ID: FYI-1006114 Edit

Molecule Structure InChIKey: LVCYVRRZAOZRPF-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c2cc(c1ccc(O)cc1)oc3c(O)cc(O)cc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1006114
FYIcenter.com

 20 22  0  0  0  0  0  0  0  0999 V2000
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 10  5  1  0  0  0  0
 11 10  2  0  0  0  0
 12  8  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
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17 12  1  0  0  0  0
 18 15  1  0  0  0  0
 19  3  1  0  0  0  0
 20  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006114-3D
FYIcenter.com

 30 32  0     0  0  0  0  0  0999 V2000
   -0.1394    0.6558   -0.0571 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6939    2.8813   -0.2434 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7510   -3.0730    0.2565 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6437    0.2222   -0.0285 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1805    0.5986   -0.0252 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1190   -0.7473    0.0567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5022    0.4985   -0.0461 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6568   -0.4761    0.0301 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1060   -0.1928    0.0148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2776   -1.9493    0.1593 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1824   -1.7271    0.1399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2773    1.6543   -0.1426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5122   -0.8475    0.0632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2849    0.3103   -0.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6691    1.5585   -0.1365 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9138   -0.7435   -0.9800 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    0.6244    0.9960 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2829   -0.4775   -0.9936 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0365    0.8906    0.9826 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8443    0.3396   -0.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8255   -2.5966    0.2189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9971   -1.8168    0.1432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2824    2.4534   -0.2114 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4942   -1.3790   -1.7563 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0521    1.0596    1.7799 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9071   -0.9087   -1.7716 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4618    1.5281    1.7531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3887    3.5596   -0.3004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8992   -0.7131    0.0486 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3960    1.1797    0.7244 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2 12  1  0  0  0  0
  2 28  1  0  0  0  0
  3 10  2  0  0  0  0
  4 14  1  0  0  0  0
  4 29  1  0  0  0  0
  5 20  1  0  0  0  0
  5 30  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  6 13  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  2  0  0  0  0
  9 16  2  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 11 21  1  0  0  0  0
 12 15  2  0  0  0  0
 13 14  2  0  0  0  0
 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 15 23  1  0  0  0  0
 16 18  1  0  0  0  0
 16 24  1  0  0  0  0
 17 19  2  0  0  0  0
 17 25  1  0  0  0  0
 18 20  2  0  0  0  0
 18 26  1  0  0  0  0
 19 20  1  0  0  0  0
 19 27  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-03, 1248👍, 0💬