1-methyl-3-oxidanyl-2-phenylsulfanyl-anthracene-9,10-dione

Systemtic Name: 1-methyl-3-oxidanyl-2-phenylsulfanyl-anthracene-9,10-dione Openeye Name: 3-hydroxy-1-methyl-2-phenylsulfanyl-anthracene-9,10-dione CAS Name: 3-hydroxy-1-methyl-2-(phenylthio)anthracene-9,10-dione IUPAC Name: 3-hydroxy-1-methyl-2-phenylsulfanylanthracene-9,10-dione Traditional Name: 3-hydroxy-1-methyl-2-(phenylthio)-9,10-anthraquinone Formula: C21H14O3S MolecularWeight: 346.39906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1SC3=CC=CC=C3)O)C(=O)C4=CC=CC=C4C2=O

Isomeric SMILES

CC1=C2C(=CC(=C1SC3=CC=CC=C3)O)C(=O)C4=CC=CC=C4C2=O

InChI

InChI=1S/C21H14O3S/c1-12-18-16(19(23)14-9-5-6-10-15(14)20(18)24)11-17(22)21(12)25-13-7-3-2-4-8-13/h2-11,22H,1H3