4-(2,6,6-trimethyl-3-oxidanyl-cyclohexen-1-yl)but-3-yn-2-yl benzoate

Systemtic Name: 4-(2,6,6-trimethyl-3-oxidanyl-cyclohexen-1-yl)but-3-yn-2-yl benzoate Openeye Name: [3-(3-hydroxy-2,6,6-trimethyl-cyclohexen-1-yl)-1-methyl-prop-2-ynyl] benzoate CAS Name: benzoic acid 4-(3-hydroxy-2,6,6-trimethyl-1-cyclohexenyl)but-3-yn-2-yl ester IUPAC Name: 4-(3-hydroxy-2,6,6-trimethylcyclohexen-1-yl)but-3-yn-2-yl benzoate Traditional Name: benzoic acid [3-(3-hydroxy-2,6,6-trimethyl-cyclohexen-1-yl)-1-methyl-prop-2-ynyl] ester Formula: C20H24O3 MolecularWeight: 312.40276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1O)(C)C)C#CC(C)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C(CCC1O)(C)C)C#CC(C)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H24O3/c1-14(23-19(22)16-8-6-5-7-9-16)10-11-17-15(2)18(21)12-13-20(17,3)4/h5-9,14,18,21H,12-13H2,1-4H3