(5S)-2,4,4-trimethyl-3-(2-phenylethynyl)-5-prop-1-en-2-yl-cyclohex-2-en-1-one

Systemtic Name: (5S)-2,4,4-trimethyl-3-(2-phenylethynyl)-5-prop-1-en-2-yl-cyclohex-2-en-1-one Openeye Name: (5S)-5-isopropenyl-2,4,4-trimethyl-3-(2-phenylethynyl)cyclohex-2-en-1-one CAS Name: (5S)-2,4,4-trimethyl-5-(1-methylethenyl)-3-(2-phenylethynyl)-1-cyclohex-2-enone IUPAC Name: (5S)-2,4,4-trimethyl-3-(2-phenylethynyl)-5-prop-1-en-2-ylcyclohex-2-en-1-one Traditional Name: (5S)-5-isopropenyl-2,4,4-trimethyl-3-(2-phenylethynyl)cyclohex-2-en-1-one Formula: C20H22O MolecularWeight: 278.38808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22O/c1-14(2)18-13-19(21)15(3)17(20(18,4)5)12-11-16-9-7-6-8-10-16/h6-10,18H,1,13H2,2-5H3/t18-/m0/s1