2-(1-phenyl-3-sulfanyl-3-sulfanylidene-propyl)pentanedioic acid

Systemtic Name: 2-(1-phenyl-3-sulfanyl-3-sulfanylidene-propyl)pentanedioic acid Openeye Name: 2-(1-phenyl-3-sulfanyl-3-thioxo-propyl)pentanedioic acid CAS Name: 2-(3-mercapto-1-phenyl-3-sulfanylidenepropyl)pentanedioic acid IUPAC Name: 2-(1-phenyl-3-sulfanyl-3-sulfanylidenepropyl)pentanedioic acid Traditional Name: 2-(3-mercapto-1-phenyl-3-thioxo-propyl)glutaric acid Formula: C14H16O4S2 MolecularWeight: 312.40444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16O4S2/c15-12(16)7-6-10(14(17)18)11(8-13(19)20)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,15,16)(H,17,18)(H,19,20)