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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1)(C)C)C=CC#CC2=CC(=C(C=C2)C(=O)OC)C

Isomeric SMILES

CC1=C(C(CCC1)(C)C)/C=C/C#CC2=CC(=C(C=C2)C(=O)OC)C

InChI

InChI=1S/C22H26O2/c1-16-9-8-14-22(3,4)20(16)11-7-6-10-18-12-13-19(17(2)15-18)21(23)24-5/h7,11-13,15H,8-9,14H2,1-5H3/b11-7+