2-dodecylsulfanyl-4-(4-ethoxyphenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 2-dodecylsulfanyl-4-(4-ethoxyphenyl)-4-oxidanylidene-butanoic acid Openeye Name: 2-dodecylsulfanyl-4-(4-ethoxyphenyl)-4-oxo-butanoic acid CAS Name: 2-(dodecylthio)-4-(4-ethoxyphenyl)-4-oxobutanoic acid IUPAC Name: 2-dodecylsulfanyl-4-(4-ethoxyphenyl)-4-oxobutanoic acid Traditional Name: 4-keto-2-(laurylthio)-4-p-phenetyl-butyric acid Formula: C24H38O4S MolecularWeight: 422.62112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC(CC(=O)C1=CC=C(C=C1)OCC)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCSC(CC(=O)C1=CC=C(C=C1)OCC)C(=O)O

InChI

InChI=1S/C24H38O4S/c1-3-5-6-7-8-9-10-11-12-13-18-29-23(24(26)27)19-22(25)20-14-16-21(17-15-20)28-4-2/h14-17,23H,3-13,18-19H2,1-2H3,(H,26,27)