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

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

C1=CC2=C(C(=C1)O)C(=O)C3=C(C2SCCC(=O)O)C=CC=C3O

Isomeric SMILES

C1=CC2=C(C(=C1)O)C(=O)C3=C(C2SCCC(=O)O)C=CC=C3O

InChI

InChI=1S/C17H14O5S/c18-11-5-1-3-9-14(11)16(22)15-10(4-2-6-12(15)19)17(9)23-8-7-13(20)21/h1-6,17-19H,7-8H2,(H,20,21)