2-[1,3-bis(oxidanylidene)-2-phenyl-1,3-bis(sulfanyl)propan-2-yl]pentanedioic acid

Systemtic Name: 2-[1,3-bis(oxidanylidene)-2-phenyl-1,3-bis(sulfanyl)propan-2-yl]pentanedioic acid Openeye Name: 2-(2-oxo-1-phenyl-2-sulfanyl-1-sulfanylcarbonyl-ethyl)pentanedioic acid CAS Name: 2-(1,3-dimercapto-1,3-dioxo-2-phenylpropan-2-yl)pentanedioic acid IUPAC Name: 2-[1,3-dioxo-2-phenyl-1,3-bis(sulfanyl)propan-2-yl]pentanedioic acid Traditional Name: 2-(2-keto-2-mercapto-1-phenyl-1-thiocarboxy-ethyl)glutaric acid Formula: C14H14O6S2 MolecularWeight: 342.38736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(CCC(=O)O)C(=O)O)(C(=O)S)C(=O)S

Isomeric SMILES

C1=CC=C(C=C1)C(C(CCC(=O)O)C(=O)O)(C(=O)S)C(=O)S

InChI

InChI=1S/C14H14O6S2/c15-10(16)7-6-9(11(17)18)14(12(19)21,13(20)22)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,15,16)(H,17,18)(H,19,21)(H,20,22)