methyl 2-[[4,5-bis(oxidanyl)-10-oxidanylidene-9H-anthracen-9-yl]sulfanyl]propanoate

Systemtic Name: methyl 2-[[4,5-bis(oxidanyl)-10-oxidanylidene-9H-anthracen-9-yl]sulfanyl]propanoate Openeye Name: methyl 2-[(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)sulfanyl]propanoate CAS Name: 2-[(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)thio]propanoic acid methyl ester IUPAC Name: methyl 2-[(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)sulfanyl]propanoate Traditional Name: 2-[(4,5-dihydroxy-10-keto-9H-anthracen-9-yl)thio]propionic acid methyl ester Formula: C18H16O5S MolecularWeight: 344.38164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1C2=C(C(=CC=C2)O)C(=O)C3=C1C=CC=C3O

Isomeric SMILES

CC(C(=O)OC)SC1C2=C(C(=CC=C2)O)C(=O)C3=C1C=CC=C3O

InChI

InChI=1S/C18H16O5S/c1-9(18(22)23-2)24-17-10-5-3-7-12(19)14(10)16(21)15-11(17)6-4-8-13(15)20/h3-9,17,19-20H,1-2H3