(6E)-2-methyl-2-[3-(2-phenylethynyl)cyclohex-2-en-1-yl]-6-(phenylmethylidene)cyclohexan-1-one

Systemtic Name: (6E)-2-methyl-2-[3-(2-phenylethynyl)cyclohex-2-en-1-yl]-6-(phenylmethylidene)cyclohexan-1-one Openeye Name: (6E)-6-benzylidene-2-methyl-2-[3-(2-phenylethynyl)cyclohex-2-en-1-yl]cyclohexanone CAS Name: (6E)-2-methyl-2-[3-(2-phenylethynyl)-1-cyclohex-2-enyl]-6-(phenylmethylene)-1-cyclohexanone IUPAC Name: (6E)-6-benzylidene-2-methyl-2-[3-(2-phenylethynyl)cyclohex-2-en-1-yl]cyclohexan-1-one Traditional Name: (6E)-6-benzal-2-methyl-2-[3-(2-phenylethynyl)cyclohex-2-en-1-yl]cyclohexanone Formula: C28H28O MolecularWeight: 380.52132

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(=CC2=CC=CC=C2)C1=O)C3CCCC(=C3)C#CC4=CC=CC=C4

Isomeric SMILES

CC1(CCC/C(=C\C2=CC=CC=C2)/C1=O)C3CCCC(=C3)C#CC4=CC=CC=C4

InChI

InChI=1S/C28H28O/c1-28(19-9-15-25(27(28)29)20-23-12-6-3-7-13-23)26-16-8-14-24(21-26)18-17-22-10-4-2-5-11-22/h2-7,10-13,20-21,26H,8-9,14-16,19H2,1H3/b25-20+