methyl 6-methylsulfanyl-2-(4-nonylphenyl)-5-oxidanyl-hexanoate

Systemtic Name: methyl 6-methylsulfanyl-2-(4-nonylphenyl)-5-oxidanyl-hexanoate Openeye Name: methyl 5-hydroxy-6-methylsulfanyl-2-(4-nonylphenyl)hexanoate CAS Name: 5-hydroxy-6-(methylthio)-2-(4-nonylphenyl)hexanoic acid methyl ester IUPAC Name: methyl 5-hydroxy-6-methylsulfanyl-2-(4-nonylphenyl)hexanoate Traditional Name: 5-hydroxy-6-(methylthio)-2-(4-nonylphenyl)hexanoic acid methyl ester Formula: C23H38O3S MolecularWeight: 394.61102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C(CCC(CSC)O)C(=O)OC

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C(CCC(CSC)O)C(=O)OC

InChI

InChI=1S/C23H38O3S/c1-4-5-6-7-8-9-10-11-19-12-14-20(15-13-19)22(23(25)26-2)17-16-21(24)18-27-3/h12-15,21-22,24H,4-11,16-18H2,1-3H3