ethyl (2E,4E)-4-chloranyl-2,6,6-trimethyl-5-methylsulfanyl-hepta-2,4-dienoate

Systemtic Name: ethyl (2E,4E)-4-chloranyl-2,6,6-trimethyl-5-methylsulfanyl-hepta-2,4-dienoate Openeye Name: ethyl (2E,4E)-4-chloro-2,6,6-trimethyl-5-methylsulfanyl-hepta-2,4-dienoate CAS Name: (2E,4E)-4-chloro-2,6,6-trimethyl-5-(methylthio)hepta-2,4-dienoic acid ethyl ester IUPAC Name: ethyl (2E,4E)-4-chloro-2,6,6-trimethyl-5-methylsulfanylhepta-2,4-dienoate Traditional Name: (2E,4E)-4-chloro-2,6,6-trimethyl-5-(methylthio)hepta-2,4-dienoic acid ethyl ester Formula: C13H21ClO2S MolecularWeight: 276.82264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC(=C(C(C)(C)C)SC)Cl)C

Isomeric SMILES

CCOC(=O)/C(=C/C(=C(/C(C)(C)C)\SC)/Cl)/C

InChI

InChI=1S/C13H21ClO2S/c1-7-16-12(15)9(2)8-10(14)11(17-6)13(3,4)5/h8H,7H2,1-6H3/b9-8+,11-10+