2-(carboxymethylsulfanyl)-4-oxidanylidene-4-phenyl-butanoic acid

Systemtic Name: 2-(carboxymethylsulfanyl)-4-oxidanylidene-4-phenyl-butanoic acid Openeye Name: 2-(carboxymethylsulfanyl)-4-oxo-4-phenyl-butanoic acid CAS Name: 2-(carboxymethylthio)-4-oxo-4-phenylbutanoic acid IUPAC Name: 2-(carboxymethylsulfanyl)-4-oxo-4-phenylbutanoic acid Traditional Name: 2-(carboxymethylthio)-4-keto-4-phenyl-butyric acid Formula: C12H12O5S MolecularWeight: 268.28568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CC(C(=O)O)SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CC(C(=O)O)SCC(=O)O

InChI

InChI=1S/C12H12O5S/c13-9(8-4-2-1-3-5-8)6-10(12(16)17)18-7-11(14)15/h1-5,10H,6-7H2,(H,14,15)(H,16,17)