9-(2-methylphenyl)-2,4-bis(oxidanyl)-6H-benzo[b][1]benzothiepin-5-one

Systemtic Name: 9-(2-methylphenyl)-2,4-bis(oxidanyl)-6H-benzo[b][1]benzothiepin-5-one Openeye Name: 2,4-dihydroxy-9-(o-tolyl)-6H-benzo[b][1]benzothiepin-5-one CAS Name: 2,4-dihydroxy-9-(2-methylphenyl)-6H-benzo[b][1]benzothiepin-5-one IUPAC Name: 2,4-dihydroxy-9-(2-methylphenyl)-6H-benzo[b][1]benzothiepin-5-one Traditional Name: 2,4-dihydroxy-9-(o-tolyl)-6H-benzo[b][1]benzothiepin-5-one Formula: C21H16O3S MolecularWeight: 348.41494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC3=C(CC(=O)C4=C(C=C(C=C4S3)O)O)C=C2

Isomeric SMILES

CC1=CC=CC=C1C2=CC3=C(CC(=O)C4=C(C=C(C=C4S3)O)O)C=C2

InChI

InChI=1S/C21H16O3S/c1-12-4-2-3-5-16(12)13-6-7-14-8-17(23)21-18(24)10-15(22)11-20(21)25-19(14)9-13/h2-7,9-11,22,24H,8H2,1H3