1,8-bis(oxidanyl)-10-(phenylmethylsulfanyl)-10H-anthracen-9-one

Systemtic Name: 1,8-bis(oxidanyl)-10-(phenylmethylsulfanyl)-10H-anthracen-9-one Openeye Name: 10-benzylsulfanyl-1,8-dihydroxy-10H-anthracen-9-one CAS Name: 1,8-dihydroxy-10-(phenylmethylthio)-10H-anthracen-9-one IUPAC Name: 10-benzylsulfanyl-1,8-dihydroxy-10H-anthracen-9-one Traditional Name: 10-(benzylthio)-1,8-dihydroxy-10H-anthracen-9-one Formula: C21H16O3S MolecularWeight: 348.41494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2C3=C(C(=CC=C3)O)C(=O)C4=C2C=CC=C4O

Isomeric SMILES

C1=CC=C(C=C1)CSC2C3=C(C(=CC=C3)O)C(=O)C4=C2C=CC=C4O

InChI

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