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

Systemtic Name: methyl (2S)-2-[(4-methylphenyl)sulfanylmethyl]-2-oxidanyl-hexadecanoate Openeye Name: methyl (2S)-2-hydroxy-2-(p-tolylsulfanylmethyl)hexadecanoate CAS Name: (2S)-2-hydroxy-2-[[(4-methylphenyl)thio]methyl]hexadecanoic acid methyl ester IUPAC Name: methyl (2S)-2-hydroxy-2-[(4-methylphenyl)sulfanylmethyl]hexadecanoate Traditional Name: (2S)-2-hydroxy-2-[(p-tolylthio)methyl]palmitic acid methyl ester Formula: C25H42O3S MolecularWeight: 422.66418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H42O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-25(27,24(26)28-3)21-29-23-18-16-22(2)17-19-23/h16-19,27H,4-15,20-21H2,1-3H3/t25-/m1/s1