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

Systemtic Name: 2-(carboxymethylsulfanyl)-4-(4-dodecylphenyl)-4-oxidanylidene-butanoic acid Openeye Name: 2-(carboxymethylsulfanyl)-4-(4-dodecylphenyl)-4-oxo-butanoic acid CAS Name: 2-(carboxymethylthio)-4-(4-dodecylphenyl)-4-oxobutanoic acid IUPAC Name: 2-(carboxymethylsulfanyl)-4-(4-dodecylphenyl)-4-oxobutanoic acid Traditional Name: 2-(carboxymethylthio)-4-keto-4-(4-laurylphenyl)butyric acid Formula: C24H36O5S MolecularWeight: 436.60464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)C(=O)CC(C(=O)O)SCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)C(=O)CC(C(=O)O)SCC(=O)O

InChI

InChI=1S/C24H36O5S/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-15-20(16-14-19)21(25)17-22(24(28)29)30-18-23(26)27/h13-16,22H,2-12,17-18H2,1H3,(H,26,27)(H,28,29)