5-butyl-5-(3-methylsulfanylphenyl)decanedioic acid

Systemtic Name: 5-butyl-5-(3-methylsulfanylphenyl)decanedioic acid Openeye Name: 5-butyl-5-(3-methylsulfanylphenyl)decanedioic acid CAS Name: 5-butyl-5-[3-(methylthio)phenyl]decanedioic acid IUPAC Name: 5-butyl-5-(3-methylsulfanylphenyl)decanedioic acid Traditional Name: 5-butyl-5-[3-(methylthio)phenyl]sebacic acid Formula: C21H32O4S MolecularWeight: 380.54138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCCC(=O)O)(CCCC(=O)O)C1=CC(=CC=C1)SC

Isomeric SMILES

CCCCC(CCCCC(=O)O)(CCCC(=O)O)C1=CC(=CC=C1)SC

InChI

InChI=1S/C21H32O4S/c1-3-4-13-21(15-8-12-20(24)25,14-6-5-11-19(22)23)17-9-7-10-18(16-17)26-2/h7,9-10,16H,3-6,8,11-15H2,1-2H3,(H,22,23)(H,24,25)