ethyl 3-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]benzoate

Systemtic Name: ethyl 3-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]benzoate Openeye Name: ethyl 3-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]benzoate CAS Name: 3-[(E)-4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-1-ynyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]benzoate Traditional Name: 3-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]benzoic acid ethyl ester Formula: C22H26O2 MolecularWeight: 322.44064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC(=C1)C#CC=CC2=C(CCCC2(C)C)C

Isomeric SMILES

CCOC(=O)C1=CC=CC(=C1)C#C/C=C/C2=C(CCCC2(C)C)C

InChI

InChI=1S/C22H26O2/c1-5-24-21(23)19-13-8-12-18(16-19)11-6-7-14-20-17(2)10-9-15-22(20,3)4/h7-8,12-14,16H,5,9-10,15H2,1-4H3/b14-7+