4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)-N-(2-sulfanylethyl)anthracene-2-carboxamide

Systemtic Name: 4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)-N-(2-sulfanylethyl)anthracene-2-carboxamide Openeye Name: 4,5-dihydroxy-9,10-dioxo-N-(2-sulfanylethyl)anthracene-2-carboxamide CAS Name: 4,5-dihydroxy-N-(2-mercaptoethyl)-9,10-dioxo-2-anthracenecarboxamide IUPAC Name: 4,5-dihydroxy-9,10-dioxo-N-(2-sulfanylethyl)anthracene-2-carboxamide Traditional Name: 4,5-dihydroxy-9,10-diketo-N-(2-mercaptoethyl)anthracene-2-carboxamide Formula: C17H13NO5S MolecularWeight: 343.35382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C=C3C2=O)C(=O)NCCS)O

Isomeric SMILES

C1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C=C3C2=O)C(=O)NCCS)O

InChI

InChI=1S/C17H13NO5S/c19-11-3-1-2-9-13(11)16(22)14-10(15(9)21)6-8(7-12(14)20)17(23)18-4-5-24/h1-3,6-7,19-20,24H,4-5H2,(H,18,23)