[2,2,6-trimethyl-1-[(E)-3-methyl-5-oxidanyl-pent-3-en-1-ynyl]-4-oxidanyl-cyclohexyl] benzoate

Systemtic Name: [2,2,6-trimethyl-1-[(E)-3-methyl-5-oxidanyl-pent-3-en-1-ynyl]-4-oxidanyl-cyclohexyl] benzoate Openeye Name: [4-hydroxy-1-[(E)-5-hydroxy-3-methyl-pent-3-en-1-ynyl]-2,2,6-trimethyl-cyclohexyl] benzoate CAS Name: benzoic acid [4-hydroxy-1-[(E)-5-hydroxy-3-methylpent-3-en-1-ynyl]-2,2,6-trimethylcyclohexyl] ester IUPAC Name: [4-hydroxy-1-[(E)-5-hydroxy-3-methylpent-3-en-1-ynyl]-2,2,6-trimethylcyclohexyl] benzoate Traditional Name: benzoic acid [4-hydroxy-1-[(E)-5-hydroxy-3-methyl-pent-3-en-1-ynyl]-2,2,6-trimethyl-cyclohexyl] ester Formula: C22H28O4 MolecularWeight: 356.45532

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1(C#CC(=CCO)C)OC(=O)C2=CC=CC=C2)(C)C)O

Isomeric SMILES

CC1CC(CC(C1(C#C/C(=C/CO)/C)OC(=O)C2=CC=CC=C2)(C)C)O

InChI

InChI=1S/C22H28O4/c1-16(11-13-23)10-12-22(17(2)14-19(24)15-21(22,3)4)26-20(25)18-8-6-5-7-9-18/h5-9,11,17,19,23-24H,13-15H2,1-4H3/b16-11+