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

Systemtic Name: methyl 6-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-6-(4-nonylphenyl)hexanoate Openeye Name: methyl 6-(3-methoxy-3-oxo-propyl)sulfanyl-6-(4-nonylphenyl)hexanoate CAS Name: 6-[(3-methoxy-3-oxopropyl)thio]-6-(4-nonylphenyl)hexanoic acid methyl ester IUPAC Name: methyl 6-(3-methoxy-3-oxopropyl)sulfanyl-6-(4-nonylphenyl)hexanoate Traditional Name: 6-[(3-keto-3-methoxy-propyl)thio]-6-(4-nonylphenyl)hexanoic acid methyl ester Formula: C26H42O4S MolecularWeight: 450.67428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C(CCCCC(=O)OC)SCCC(=O)OC

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C(CCCCC(=O)OC)SCCC(=O)OC

InChI

InChI=1S/C26H42O4S/c1-4-5-6-7-8-9-10-13-22-16-18-23(19-17-22)24(31-21-20-26(28)30-3)14-11-12-15-25(27)29-2/h16-19,24H,4-15,20-21H2,1-3H3