1-methyl-4-[4-[2-(4-octylphenyl)ethynyl]cyclohexyl]benzene

Systemtic Name: 1-methyl-4-[4-[2-(4-octylphenyl)ethynyl]cyclohexyl]benzene Openeye Name: 1-methyl-4-[4-[2-(4-octylphenyl)ethynyl]cyclohexyl]benzene CAS Name: 1-methyl-4-[4-[2-(4-octylphenyl)ethynyl]cyclohexyl]benzene IUPAC Name: 1-methyl-4-[4-[2-(4-octylphenyl)ethynyl]cyclohexyl]benzene Traditional Name: 1-methyl-4-[4-[2-(4-octylphenyl)ethynyl]cyclohexyl]benzene Formula: C29H38 MolecularWeight: 386.61202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C#CC2CCC(CC2)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C#CC2CCC(CC2)C3=CC=C(C=C3)C

InChI

InChI=1S/C29H38/c1-3-4-5-6-7-8-9-25-12-14-26(15-13-25)16-17-27-18-22-29(23-19-27)28-20-10-24(2)11-21-28/h10-15,20-21,27,29H,3-9,18-19,22-23H2,1-2H3