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3-(3-nitrophenyl)-7,9-bis(oxidanyl)-5H-benzo[b][1]benzothiepin-6-one

3-(3-nitrophenyl)-7,9-bis(oxidanyl)-5H-benzo[b][1]benzothiepin-6-one

Systemtic Name:3-(3-nitrophenyl)-7,9-bis(oxidanyl)-5H-benzo[b][1]benzothiepin-6-one
Openeye Name:7,9-dihydroxy-3-(3-nitrophenyl)-5H-benzo[b][1]benzothiepin-6-one
CAS Name:7,9-dihydroxy-3-(3-nitrophenyl)-5H-benzo[b][1]benzothiepin-6-one
IUPAC Name:7,9-dihydroxy-3-(3-nitrophenyl)-5H-benzo[b][1]benzothiepin-6-one
Traditional Name:7,9-dihydroxy-3-(3-nitrophenyl)-5H-benzo[b][1]benzothiepin-6-one
Formula: C20H13NO5S
MolecularWeight: 379.38592
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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)C3=CC(=CC=C3)[N+](=O)[O-])SC4=CC(=CC(=C4C1=O)O)O


Isomeric SMILES

C1C2=C(C=CC(=C2)C3=CC(=CC=C3)[N+](=O)[O-])SC4=CC(=CC(=C4C1=O)O)O


InChI

InChI=1S/C20H13NO5S/c22-15-9-17(24)20-16(23)8-13-6-12(4-5-18(13)27-19(20)10-15)11-2-1-3-14(7-11)21(25)26/h1-7,9-10,22,24H,8H2


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