ethyl (2S)-2-[(4-methylphenyl)sulfanylmethyl]-2-oxidanyl-hexadecanoate

Systemtic Name: ethyl (2S)-2-[(4-methylphenyl)sulfanylmethyl]-2-oxidanyl-hexadecanoate Openeye Name: ethyl (2S)-2-hydroxy-2-(p-tolylsulfanylmethyl)hexadecanoate CAS Name: (2S)-2-hydroxy-2-[[(4-methylphenyl)thio]methyl]hexadecanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-hydroxy-2-[(4-methylphenyl)sulfanylmethyl]hexadecanoate Traditional Name: (2S)-2-hydroxy-2-[(p-tolylthio)methyl]palmitic acid ethyl ester Formula: C26H44O3S MolecularWeight: 436.69076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(CSC1=CC=C(C=C1)C)(C(=O)OCC)O

Isomeric SMILES

CCCCCCCCCCCCCC[C@@](CSC1=CC=C(C=C1)C)(C(=O)OCC)O

InChI

InChI=1S/C26H44O3S/c1-4-6-7-8-9-10-11-12-13-14-15-16-21-26(28,25(27)29-5-2)22-30-24-19-17-23(3)18-20-24/h17-20,28H,4-16,21-22H2,1-3H3/t26-/m1/s1