3-methoxy-8-oxidanyl-9,10-bis(oxidanylidene)-1-(phenylsulfanylmethyl)anthracene-2-carboxylic acid

Systemtic Name: 3-methoxy-8-oxidanyl-9,10-bis(oxidanylidene)-1-(phenylsulfanylmethyl)anthracene-2-carboxylic acid Openeye Name: 8-hydroxy-3-methoxy-9,10-dioxo-1-(phenylsulfanylmethyl)anthracene-2-carboxylic acid CAS Name: 8-hydroxy-3-methoxy-9,10-dioxo-1-[(phenylthio)methyl]-2-anthracenecarboxylic acid IUPAC Name: 8-hydroxy-3-methoxy-9,10-dioxo-1-(phenylsulfanylmethyl)anthracene-2-carboxylic acid Traditional Name: 8-hydroxy-9,10-diketo-3-methoxy-1-[(phenylthio)methyl]anthracene-2-carboxylic acid Formula: C23H16O6S MolecularWeight: 420.43454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)O)CSC4=CC=CC=C4)C(=O)O

Isomeric SMILES

COC1=C(C(=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)O)CSC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C23H16O6S/c1-29-17-10-14-18(22(26)19-13(21(14)25)8-5-9-16(19)24)15(20(17)23(27)28)11-30-12-6-3-2-4-7-12/h2-10,24H,11H2,1H3,(H,27,28)