2-[[1,8-bis(oxidanyl)-9-oxidanylidene-10H-anthracen-2-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[1,8-bis(oxidanyl)-9-oxidanylidene-10H-anthracen-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)sulfanyl]acetic acid CAS Name: 2-[(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)thio]acetic acid IUPAC Name: 2-[(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)sulfanyl]acetic acid Traditional Name: 2-[(1,8-dihydroxy-9-keto-10H-anthracen-2-yl)thio]acetic acid Formula: C16H12O5S MolecularWeight: 316.32848

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(=CC=C2)O)C(=O)C3=C1C=CC(=C3O)SCC(=O)O

Isomeric SMILES

C1C2=C(C(=CC=C2)O)C(=O)C3=C1C=CC(=C3O)SCC(=O)O

InChI

InChI=1S/C16H12O5S/c17-10-3-1-2-8-6-9-4-5-11(22-7-12(18)19)15(20)14(9)16(21)13(8)10/h1-5,17,20H,6-7H2,(H,18,19)