1-heptyl-4-[4-[2-(4-methylphenyl)ethynyl]cyclohexyl]benzene

Systemtic Name: 1-heptyl-4-[4-[2-(4-methylphenyl)ethynyl]cyclohexyl]benzene Openeye Name: 1-heptyl-4-[4-[2-(p-tolyl)ethynyl]cyclohexyl]benzene CAS Name: 1-heptyl-4-[4-[2-(4-methylphenyl)ethynyl]cyclohexyl]benzene IUPAC Name: 1-heptyl-4-[4-[2-(4-methylphenyl)ethynyl]cyclohexyl]benzene Traditional Name: 1-heptyl-4-[4-[2-(p-tolyl)ethynyl]cyclohexyl]benzene Formula: C28H36 MolecularWeight: 372.58544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2CCC(CC2)C#CC3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2CCC(CC2)C#CC3=CC=C(C=C3)C

InChI

InChI=1S/C28H36/c1-3-4-5-6-7-8-24-15-19-27(20-16-24)28-21-17-26(18-22-28)14-13-25-11-9-23(2)10-12-25/h9-12,15-16,19-20,26,28H,3-8,17-18,21-22H2,1-2H3