6-ethyl-2,3-bis(oxidanyl)-9-(4-phenylphenyl)-6H-benzo[b][1]benzothiepin-5-one

Systemtic Name: 6-ethyl-2,3-bis(oxidanyl)-9-(4-phenylphenyl)-6H-benzo[b][1]benzothiepin-5-one Openeye Name: 6-ethyl-2,3-dihydroxy-9-(4-phenylphenyl)-6H-benzo[b][1]benzothiepin-5-one CAS Name: 6-ethyl-2,3-dihydroxy-9-(4-phenylphenyl)-6H-benzo[b][1]benzothiepin-5-one IUPAC Name: 6-ethyl-2,3-dihydroxy-9-(4-phenylphenyl)-6H-benzo[b][1]benzothiepin-5-one Traditional Name: 6-ethyl-2,3-dihydroxy-9-(4-phenylphenyl)-6H-benzo[b][1]benzothiepin-5-one Formula: C28H22O3S MolecularWeight: 438.53748

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2=C(C=C(C=C2)C3=CC=C(C=C3)C4=CC=CC=C4)SC5=CC(=C(C=C5C1=O)O)O

Isomeric SMILES

CCC1C2=C(C=C(C=C2)C3=CC=C(C=C3)C4=CC=CC=C4)SC5=CC(=C(C=C5C1=O)O)O

InChI

InChI=1S/C28H22O3S/c1-2-21-22-13-12-20(19-10-8-18(9-11-19)17-6-4-3-5-7-17)14-26(22)32-27-16-25(30)24(29)15-23(27)28(21)31/h3-16,21,29-30H,2H2,1H3