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

Systemtic Name: 2-(carboxymethylsulfanyl)-4-(4-ethylphenyl)-4-oxidanylidene-butanoic acid Openeye Name: 2-(carboxymethylsulfanyl)-4-(4-ethylphenyl)-4-oxo-butanoic acid CAS Name: 2-(carboxymethylthio)-4-(4-ethylphenyl)-4-oxobutanoic acid IUPAC Name: 2-(carboxymethylsulfanyl)-4-(4-ethylphenyl)-4-oxobutanoic acid Traditional Name: 2-(carboxymethylthio)-4-(4-ethylphenyl)-4-keto-butyric acid Formula: C14H16O5S MolecularWeight: 296.33884

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)CC(C(=O)O)SCC(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)CC(C(=O)O)SCC(=O)O

InChI

InChI=1S/C14H16O5S/c1-2-9-3-5-10(6-4-9)11(15)7-12(14(18)19)20-8-13(16)17/h3-6,12H,2,7-8H2,1H3,(H,16,17)(H,18,19)