methyl 3-[[4,5-bis(oxidanyl)-10-oxidanylidene-9H-anthracen-9-yl]sulfanyl]propanoate

Systemtic Name: methyl 3-[[4,5-bis(oxidanyl)-10-oxidanylidene-9H-anthracen-9-yl]sulfanyl]propanoate Openeye Name: methyl 3-[(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)sulfanyl]propanoate CAS Name: 3-[(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-[(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)sulfanyl]propanoate Traditional Name: 3-[(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:

COC(=O)CCSC1C2=C(C(=CC=C2)O)C(=O)C3=C1C=CC=C3O

Isomeric SMILES

COC(=O)CCSC1C2=C(C(=CC=C2)O)C(=O)C3=C1C=CC=C3O

InChI

InChI=1S/C18H16O5S/c1-23-14(21)8-9-24-18-10-4-2-6-12(19)15(10)17(22)16-11(18)5-3-7-13(16)20/h2-7,18-20H,8-9H2,1H3