3,3,5-trimethyl-4-[(E)-3-methyl-5-oxidanyl-pent-3-en-1-ynyl]-4-oxidanyl-cyclohexan-1-one

Systemtic Name: 3,3,5-trimethyl-4-[(E)-3-methyl-5-oxidanyl-pent-3-en-1-ynyl]-4-oxidanyl-cyclohexan-1-one Openeye Name: 4-hydroxy-4-[(E)-5-hydroxy-3-methyl-pent-3-en-1-ynyl]-3,3,5-trimethyl-cyclohexanone CAS Name: 4-hydroxy-4-[(E)-5-hydroxy-3-methylpent-3-en-1-ynyl]-3,3,5-trimethyl-1-cyclohexanone IUPAC Name: 4-hydroxy-4-[(E)-5-hydroxy-3-methylpent-3-en-1-ynyl]-3,3,5-trimethylcyclohexan-1-one Traditional Name: 4-hydroxy-4-[(E)-5-hydroxy-3-methyl-pent-3-en-1-ynyl]-3,3,5-trimethyl-cyclohexanone Formula: C15H22O3 MolecularWeight: 250.33338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22O3/c1-11(6-8-16)5-7-15(18)12(2)9-13(17)10-14(15,3)4/h6,12,16,18H,8-10H2,1-4H3/b11-6+