methyl 2-(2-methyl-3-oxidanyl-propyl)sulfanyloctadecanoate

Systemtic Name: methyl 2-(2-methyl-3-oxidanyl-propyl)sulfanyloctadecanoate Openeye Name: methyl 2-(3-hydroxy-2-methyl-propyl)sulfanyloctadecanoate CAS Name: 2-[(3-hydroxy-2-methylpropyl)thio]octadecanoic acid methyl ester IUPAC Name: methyl 2-(3-hydroxy-2-methylpropyl)sulfanyloctadecanoate Traditional Name: 2-[(3-hydroxy-2-methyl-propyl)thio]stearic acid methyl ester Formula: C23H46O3S MolecularWeight: 402.67454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C(=O)OC)SCC(C)CO

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C(=O)OC)SCC(C)CO

InChI

InChI=1S/C23H46O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(23(25)26-3)27-20-21(2)19-24/h21-22,24H,4-20H2,1-3H3