methyl 2-[4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-1-yl]sulfanylethanoate

Systemtic Name: methyl 2-[4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-1-yl]sulfanylethanoate Openeye Name: methyl 2-[(4,5-dihydroxy-9,10-dioxo-1-anthryl)sulfanyl]acetate CAS Name: 2-[(4,5-dihydroxy-9,10-dioxo-1-anthracenyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(4,5-dihydroxy-9,10-dioxoanthracen-1-yl)sulfanylacetate Traditional Name: 2-[(4,5-dihydroxy-9,10-diketo-1-anthryl)thio]acetic acid methyl ester Formula: C17H12O6S MolecularWeight: 344.33858

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C2C(=C(C=C1)O)C(=O)C3=C(C2=O)C=CC=C3O

Isomeric SMILES

COC(=O)CSC1=C2C(=C(C=C1)O)C(=O)C3=C(C2=O)C=CC=C3O

InChI

InChI=1S/C17H12O6S/c1-23-12(20)7-24-11-6-5-10(19)14-15(11)16(21)8-3-2-4-9(18)13(8)17(14)22/h2-6,18-19H,7H2,1H3