(5S)-3-[2-(4-methoxyphenyl)ethynyl]-2,4,4-trimethyl-5-prop-1-en-2-yl-cyclohex-2-en-1-one

Systemtic Name: (5S)-3-[2-(4-methoxyphenyl)ethynyl]-2,4,4-trimethyl-5-prop-1-en-2-yl-cyclohex-2-en-1-one Openeye Name: (5S)-5-isopropenyl-3-[2-(4-methoxyphenyl)ethynyl]-2,4,4-trimethyl-cyclohex-2-en-1-one CAS Name: (5S)-3-[2-(4-methoxyphenyl)ethynyl]-2,4,4-trimethyl-5-(1-methylethenyl)-1-cyclohex-2-enone IUPAC Name: (5S)-3-[2-(4-methoxyphenyl)ethynyl]-2,4,4-trimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-one Traditional Name: (5S)-5-isopropenyl-3-[2-(4-methoxyphenyl)ethynyl]-2,4,4-trimethyl-cyclohex-2-en-1-one Formula: C21H24O2 MolecularWeight: 308.41406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(CC1=O)C(=C)C)(C)C)C#CC2=CC=C(C=C2)OC

Isomeric SMILES

CC1=C(C([C@@H](CC1=O)C(=C)C)(C)C)C#CC2=CC=C(C=C2)OC

InChI

InChI=1S/C21H24O2/c1-14(2)19-13-20(22)15(3)18(21(19,4)5)12-9-16-7-10-17(23-6)11-8-16/h7-8,10-11,19H,1,13H2,2-6H3/t19-/m0/s1