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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1C#CC=CC2=C(CCCC2(C)C)C

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1C#C/C=C/C2=C(CCCC2(C)C)C

InChI

InChI=1S/C22H26O2/c1-5-24-21(23)19-14-8-6-12-18(19)13-7-9-15-20-17(2)11-10-16-22(20,3)4/h6,8-9,12,14-15H,5,10-11,16H2,1-4H3/b15-9+