(5-chloranyl-5-cyano-2,6,6-trimethyl-cyclohexen-1-yl)methyl ethanoate

Systemtic Name: (5-chloranyl-5-cyano-2,6,6-trimethyl-cyclohexen-1-yl)methyl ethanoate Openeye Name: (5-chloro-5-cyano-2,6,6-trimethyl-cyclohexen-1-yl)methyl acetate CAS Name: acetic acid (5-chloro-5-cyano-2,6,6-trimethyl-1-cyclohexenyl)methyl ester IUPAC Name: (5-chloro-5-cyano-2,6,6-trimethylcyclohexen-1-yl)methyl acetate Traditional Name: acetic acid (5-chloro-5-cyano-2,6,6-trimethyl-cyclohexen-1-yl)methyl ester Formula: C13H18ClNO2 MolecularWeight: 255.74052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(CC1)(C#N)Cl)(C)C)COC(=O)C

Isomeric SMILES

CC1=C(C(C(CC1)(C#N)Cl)(C)C)COC(=O)C

InChI

InChI=1S/C13H18ClNO2/c1-9-5-6-13(14,8-15)12(3,4)11(9)7-17-10(2)16/h5-7H2,1-4H3