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

Systemtic Name: 2-[[4,5-bis(oxidanyl)-10-oxidanylidene-9H-anthracen-9-yl]sulfanyl]propanoic acid Openeye Name: 2-[(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)sulfanyl]propanoic acid CAS Name: 2-[(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)thio]propanoic acid IUPAC Name: 2-[(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)sulfanyl]propanoic acid Traditional Name: 2-[(4,5-dihydroxy-10-keto-9H-anthracen-9-yl)thio]propionic acid Formula: C17H14O5S MolecularWeight: 330.35506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1C2=C(C(=CC=C2)O)C(=O)C3=C1C=CC=C3O

Isomeric SMILES

CC(C(=O)O)SC1C2=C(C(=CC=C2)O)C(=O)C3=C1C=CC=C3O

InChI

InChI=1S/C17H14O5S/c1-8(17(21)22)23-16-9-4-2-6-11(18)13(9)15(20)14-10(16)5-3-7-12(14)19/h2-8,16,18-19H,1H3,(H,21,22)