methyl 6-butylsulfanyl-6-(4-nonylphenyl)hexanoate

Systemtic Name: methyl 6-butylsulfanyl-6-(4-nonylphenyl)hexanoate Openeye Name: methyl 6-butylsulfanyl-6-(4-nonylphenyl)hexanoate CAS Name: 6-(butylthio)-6-(4-nonylphenyl)hexanoic acid methyl ester IUPAC Name: methyl 6-butylsulfanyl-6-(4-nonylphenyl)hexanoate Traditional Name: 6-(butylthio)-6-(4-nonylphenyl)hexanoic acid methyl ester Formula: C26H44O2S MolecularWeight: 420.69136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H44O2S/c1-4-6-8-9-10-11-12-15-23-18-20-24(21-19-23)25(29-22-7-5-2)16-13-14-17-26(27)28-3/h18-21,25H,4-17,22H2,1-3H3