ethyl 2-(4-dodecoxyphenyl)-3-oxidanylidene-2-sulfanyl-butanoate

Systemtic Name: ethyl 2-(4-dodecoxyphenyl)-3-oxidanylidene-2-sulfanyl-butanoate Openeye Name: ethyl 2-(4-dodecoxyphenyl)-3-oxo-2-sulfanyl-butanoate CAS Name: 2-(4-dodecoxyphenyl)-2-mercapto-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-(4-dodecoxyphenyl)-3-oxo-2-sulfanylbutanoate Traditional Name: 3-keto-2-(4-lauryloxyphenyl)-2-mercapto-butyric acid ethyl ester Formula: C24H38O4S MolecularWeight: 422.62112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C(C(=O)C)(C(=O)OCC)S

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)C(C(=O)C)(C(=O)OCC)S

InChI

InChI=1S/C24H38O4S/c1-4-6-7-8-9-10-11-12-13-14-19-28-22-17-15-21(16-18-22)24(29,20(3)25)23(26)27-5-2/h15-18,29H,4-14,19H2,1-3H3