3-oxidanylidene-2-phenylsulfanyl-pentanedioic acid

Systemtic Name: 3-oxidanylidene-2-phenylsulfanyl-pentanedioic acid Openeye Name: 3-oxo-2-phenylsulfanyl-pentanedioic acid CAS Name: 3-oxo-2-(phenylthio)pentanedioic acid IUPAC Name: 3-oxo-2-phenylsulfanylpentanedioic acid Traditional Name: 3-keto-2-(phenylthio)glutaric acid Formula: C11H10O5S MolecularWeight: 254.2591

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC(C(=O)CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SC(C(=O)CC(=O)O)C(=O)O

InChI

InChI=1S/C11H10O5S/c12-8(6-9(13)14)10(11(15)16)17-7-4-2-1-3-5-7/h1-5,10H,6H2,(H,13,14)(H,15,16)