2-[1-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)-3-phenyl-prop-2-ynyl]-5,5-dimethyl-3-oxidanyl-cyclohex-3-en-1-one

Systemtic Name: 2-[1-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)-3-phenyl-prop-2-ynyl]-5,5-dimethyl-3-oxidanyl-cyclohex-3-en-1-one Openeye Name: 3-hydroxy-2-[1-(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)-3-phenyl-prop-2-ynyl]-5,5-dimethyl-cyclohex-3-en-1-one CAS Name: 3-hydroxy-2-[1-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)-3-phenylprop-2-ynyl]-5,5-dimethyl-1-cyclohex-3-enone IUPAC Name: 3-hydroxy-2-[1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-3-phenylprop-2-ynyl]-5,5-dimethylcyclohex-3-en-1-one Traditional Name: 3-hydroxy-2-[1-(2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)-3-phenyl-prop-2-ynyl]-5,5-dimethyl-cyclohex-3-en-1-one Formula: C25H28O4 MolecularWeight: 392.48742

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C(C#CC2=CC=CC=C2)C3C(=O)CC(C=C3O)(C)C)O)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C(C#CC2=CC=CC=C2)C3C(=O)CC(C=C3O)(C)C)O)C

InChI

InChI=1S/C25H28O4/c1-24(2)12-18(26)22(19(27)13-24)17(11-10-16-8-6-5-7-9-16)23-20(28)14-25(3,4)15-21(23)29/h5-9,12,17,22,26,28H,13-15H2,1-4H3