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

Systemtic Name: 2-[[4,5-bis(oxidanyl)-10-oxidanylidene-9H-anthracen-9-yl]sulfanyl]ethanoic acid Openeye Name: 2-[(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)sulfanyl]acetic acid CAS Name: 2-[(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)thio]acetic acid IUPAC Name: 2-[(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)sulfanyl]acetic acid Traditional Name: 2-[(4,5-dihydroxy-10-keto-9H-anthracen-9-yl)thio]acetic acid Formula: C16H12O5S MolecularWeight: 316.32848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)O)C(=O)C3=C(C2SCC(=O)O)C=CC=C3O

Isomeric SMILES

C1=CC2=C(C(=C1)O)C(=O)C3=C(C2SCC(=O)O)C=CC=C3O

InChI

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