(2E)-2-methyl-4-methylsulfanyl-hepta-2,6-dienoic acid

Systemtic Name: (2E)-2-methyl-4-methylsulfanyl-hepta-2,6-dienoic acid Openeye Name: (2E)-2-methyl-4-methylsulfanyl-hepta-2,6-dienoic acid CAS Name: (2E)-2-methyl-4-(methylthio)hepta-2,6-dienoic acid IUPAC Name: (2E)-2-methyl-4-methylsulfanylhepta-2,6-dienoic acid Traditional Name: (2E)-2-methyl-4-(methylthio)hepta-2,6-dienoic acid Formula: C9H14O2S MolecularWeight: 186.27126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(CC=C)SC)C(=O)O

Isomeric SMILES

C/C(=C\C(CC=C)SC)/C(=O)O

InChI

InChI=1S/C9H14O2S/c1-4-5-8(12-3)6-7(2)9(10)11/h4,6,8H,1,5H2,2-3H3,(H,10,11)/b7-6+