methyl 6-methylsulfinyl-6-(4-nonylphenyl)-5-oxidanyl-hexanoate

Systemtic Name: methyl 6-methylsulfinyl-6-(4-nonylphenyl)-5-oxidanyl-hexanoate Openeye Name: methyl 5-hydroxy-6-methylsulfinyl-6-(4-nonylphenyl)hexanoate CAS Name: 5-hydroxy-6-methylsulfinyl-6-(4-nonylphenyl)hexanoic acid methyl ester IUPAC Name: methyl 5-hydroxy-6-methylsulfinyl-6-(4-nonylphenyl)hexanoate Traditional Name: 5-hydroxy-6-methylsulfinyl-6-(4-nonylphenyl)hexanoic acid methyl ester Formula: C23H38O4S MolecularWeight: 410.61042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C(C(CCCC(=O)OC)O)S(=O)C

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C(C(CCCC(=O)OC)O)S(=O)C

InChI

InChI=1S/C23H38O4S/c1-4-5-6-7-8-9-10-12-19-15-17-20(18-16-19)23(28(3)26)21(24)13-11-14-22(25)27-2/h15-18,21,23-24H,4-14H2,1-3H3