methyl 6-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-2-(4-nonylphenyl)-5-oxidanyl-hexanoate

Systemtic Name: methyl 6-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-2-(4-nonylphenyl)-5-oxidanyl-hexanoate Openeye Name: methyl 5-hydroxy-6-(3-methoxy-3-oxo-propyl)sulfanyl-2-(4-nonylphenyl)hexanoate CAS Name: 5-hydroxy-6-[(3-methoxy-3-oxopropyl)thio]-2-(4-nonylphenyl)hexanoic acid methyl ester IUPAC Name: methyl 5-hydroxy-6-(3-methoxy-3-oxopropyl)sulfanyl-2-(4-nonylphenyl)hexanoate Traditional Name: 5-hydroxy-6-[(3-keto-3-methoxy-propyl)thio]-2-(4-nonylphenyl)hexanoic acid methyl ester Formula: C26H42O5S MolecularWeight: 466.67368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H42O5S/c1-4-5-6-7-8-9-10-11-21-12-14-22(15-13-21)24(26(29)31-3)17-16-23(27)20-32-19-18-25(28)30-2/h12-15,23-24,27H,4-11,16-20H2,1-3H3