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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2C3=CC=CC=C3SC4=CC(=CC(=C4C2=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2C3=CC=CC=C3SC4=CC(=CC(=C4C2=O)O)O

InChI

InChI=1S/C21H16O3S/c22-14-11-17(23)20-19(12-14)25-18-9-5-4-8-15(18)16(21(20)24)10-13-6-2-1-3-7-13/h1-9,11-12,16,22-23H,10H2