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

Systemtic Name: methyl 3-[2-chloranyl-1-(2-dodecylphenyl)-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-chloro-1-(2-dodecylphenyl)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-chloro-1-(2-dodecylphenyl)-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-chloro-1-(2-dodecylphenyl)-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-chloro-2-keto-1-(2-laurylphenyl)ethyl]thio]propionic acid methyl ester Formula: C24H37ClO3S MolecularWeight: 441.06678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H37ClO3S/c1-3-4-5-6-7-8-9-10-11-12-15-20-16-13-14-17-21(20)23(24(25)27)29-19-18-22(26)28-2/h13-14,16-17,23H,3-12,15,18-19H2,1-2H3