6-(2-carboxyethylsulfanyl)-6-(4-nonylphenyl)hexanoate

Systemtic Name: 6-(2-carboxyethylsulfanyl)-6-(4-nonylphenyl)hexanoate Openeye Name: 6-(2-carboxyethylsulfanyl)-6-(4-nonylphenyl)hexanoate CAS Name: 6-(2-carboxyethylthio)-6-(4-nonylphenyl)hexanoate IUPAC Name: 6-(2-carboxyethylsulfanyl)-6-(4-nonylphenyl)hexanoate Traditional Name: 6-(2-carboxyethylthio)-6-(4-nonylphenyl)hexanoate Formula: C24H37O4S- MolecularWeight: 421.61318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C(CCCCC(=O)[O-])SCCC(=O)O

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C(CCCCC(=O)[O-])SCCC(=O)O

InChI

InChI=1S/C24H38O4S/c1-2-3-4-5-6-7-8-11-20-14-16-21(17-15-20)22(29-19-18-24(27)28)12-9-10-13-23(25)26/h14-17,22H,2-13,18-19H2,1H3,(H,25,26)(H,27,28)/p-1