tert-butyl (2R,3R)-2-methyl-3-(4-methylphenyl)sulfanylcarbonyl-undecanoate

Systemtic Name: tert-butyl (2R,3R)-2-methyl-3-(4-methylphenyl)sulfanylcarbonyl-undecanoate Openeye Name: tert-butyl (2R,3R)-2-methyl-3-(p-tolylsulfanylcarbonyl)undecanoate CAS Name: (2R,3R)-2-methyl-3-[[(4-methylphenyl)thio]-oxomethyl]undecanoic acid tert-butyl ester IUPAC Name: tert-butyl (2R,3R)-2-methyl-3-(4-methylphenyl)sulfanylcarbonylundecanoate Traditional Name: (2R,3R)-2-methyl-3-(p-tolylthio)carbonyl-undecanoic acid tert-butyl ester Formula: C24H38O3S MolecularWeight: 406.62172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(C)C(=O)OC(C)(C)C)C(=O)SC1=CC=C(C=C1)C

Isomeric SMILES

CCCCCCCC[C@H]([C@@H](C)C(=O)OC(C)(C)C)C(=O)SC1=CC=C(C=C1)C

InChI

InChI=1S/C24H38O3S/c1-7-8-9-10-11-12-13-21(19(3)22(25)27-24(4,5)6)23(26)28-20-16-14-18(2)15-17-20/h14-17,19,21H,7-13H2,1-6H3/t19-,21-/m1/s1