(2E,4E)-2-cyano-4-methylsulfanyl-hexa-2,4-dienoic acid

Systemtic Name: (2E,4E)-2-cyano-4-methylsulfanyl-hexa-2,4-dienoic acid Openeye Name: (2E,4E)-2-cyano-4-methylsulfanyl-hexa-2,4-dienoic acid CAS Name: (2E,4E)-2-cyano-4-(methylthio)hexa-2,4-dienoic acid IUPAC Name: (2E,4E)-2-cyano-4-methylsulfanylhexa-2,4-dienoic acid Traditional Name: (2E,4E)-2-cyano-4-(methylthio)hexa-2,4-dienoic acid Formula: C8H9NO2S MolecularWeight: 183.22756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=C(C=C(C#N)C(=O)O)SC

Isomeric SMILES

C/C=C(\C=C(/C#N)\C(=O)O)/SC

InChI

InChI=1S/C8H9NO2S/c1-3-7(12-2)4-6(5-9)8(10)11/h3-4H,1-2H3,(H,10,11)/b6-4+,7-3+