4-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-3-yn-2-yl benzoate

Systemtic Name: 4-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-3-yn-2-yl benzoate Openeye Name: [1-methyl-3-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)prop-2-ynyl] benzoate CAS Name: benzoic acid 4-(2,6,6-trimethyl-1-cyclohexa-1,3-dienyl)but-3-yn-2-yl ester IUPAC Name: 4-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-3-yn-2-yl benzoate Traditional Name: benzoic acid [1-methyl-3-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)prop-2-ynyl] ester Formula: C20H22O2 MolecularWeight: 294.38748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CC=C1)(C)C)C#CC(C)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C(CC=C1)(C)C)C#CC(C)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H22O2/c1-15-9-8-14-20(3,4)18(15)13-12-16(2)22-19(21)17-10-6-5-7-11-17/h5-11,16H,14H2,1-4H3