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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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