3-(3,4,5-trimethylidenetridec-1-en-2-ylsulfanyl)propanoic acid

Systemtic Name: 3-(3,4,5-trimethylidenetridec-1-en-2-ylsulfanyl)propanoic acid Openeye Name: 3-(1,2,3,4-tetramethylenedodecylsulfanyl)propanoic acid CAS Name: 3-(3,4,5-trimethylenetridec-1-en-2-ylthio)propanoic acid IUPAC Name: 3-(3,4,5-trimethylidenetridec-1-en-2-ylsulfanyl)propanoic acid Traditional Name: 3-[(1,2,3-trimethylene-4-octyl-pent-4-enyl)thio]propionic acid Formula: C19H30O2S MolecularWeight: 322.5053

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=C)C(=C)C(=C)C(=C)SCCC(=O)O

Isomeric SMILES

CCCCCCCCC(=C)C(=C)C(=C)C(=C)SCCC(=O)O

InChI

InChI=1S/C19H30O2S/c1-6-7-8-9-10-11-12-15(2)16(3)17(4)18(5)22-14-13-19(20)21/h2-14H2,1H3,(H,20,21)