[5,5-dimethyl-2-(2-methylphenyl)-3-oxidanylidene-cyclohexen-1-yl] prop-2-ynoate

Systemtic Name: [5,5-dimethyl-2-(2-methylphenyl)-3-oxidanylidene-cyclohexen-1-yl] prop-2-ynoate Openeye Name: [5,5-dimethyl-2-(o-tolyl)-3-oxo-cyclohexen-1-yl] prop-2-ynoate CAS Name: 2-propynoic acid [5,5-dimethyl-2-(2-methylphenyl)-3-oxo-1-cyclohexenyl] ester IUPAC Name: [5,5-dimethyl-2-(2-methylphenyl)-3-oxocyclohexen-1-yl] prop-2-ynoate Traditional Name: propiolic acid [3-keto-5,5-dimethyl-2-(o-tolyl)cyclohexen-1-yl] ester Formula: C18H18O3 MolecularWeight: 282.33372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(CC(CC2=O)(C)C)OC(=O)C#C

Isomeric SMILES

CC1=CC=CC=C1C2=C(CC(CC2=O)(C)C)OC(=O)C#C

InChI

InChI=1S/C18H18O3/c1-5-16(20)21-15-11-18(3,4)10-14(19)17(15)13-9-7-6-8-12(13)2/h1,6-9H,10-11H2,2-4H3