methyl 3-[1-(2-dodecylphenyl)-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[1-(2-dodecylphenyl)-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[1-(2-dodecylphenyl)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[1-(2-dodecylphenyl)-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[1-(2-dodecylphenyl)-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-keto-1-(2-laurylphenyl)ethyl]thio]propionic acid methyl ester Formula: C24H38O3S MolecularWeight: 406.62172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1C(C=O)SCCC(=O)OC

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1C(C=O)SCCC(=O)OC

InChI

InChI=1S/C24H38O3S/c1-3-4-5-6-7-8-9-10-11-12-15-21-16-13-14-17-22(21)23(20-25)28-19-18-24(26)27-2/h13-14,16-17,20,23H,3-12,15,18-19H2,1-2H3