2-butyl-6-(5-carboxynonylsulfanyl)hexanoic acid

Systemtic Name: 2-butyl-6-(5-carboxynonylsulfanyl)hexanoic acid Openeye Name: 2-butyl-6-(5-carboxynonylsulfanyl)hexanoic acid CAS Name: 2-butyl-6-(5-carboxynonylthio)hexanoic acid IUPAC Name: 2-butyl-6-(5-carboxynonylsulfanyl)hexanoic acid Traditional Name: 2-butyl-6-(5-carboxynonylthio)hexanoic acid Formula: C20H38O4S MolecularWeight: 374.57832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCCSCCCCC(CCCC)C(=O)O)C(=O)O

Isomeric SMILES

CCCCC(CCCCSCCCCC(CCCC)C(=O)O)C(=O)O

InChI

InChI=1S/C20H38O4S/c1-3-5-11-17(19(21)22)13-7-9-15-25-16-10-8-14-18(20(23)24)12-6-4-2/h17-18H,3-16H2,1-2H3,(H,21,22)(H,23,24)