2-[2-(4-heptylcyclohexyl)ethyl]-4-hept-1-ynyl-1-(2-phenylethynyl)benzene

Systemtic Name: 2-[2-(4-heptylcyclohexyl)ethyl]-4-hept-1-ynyl-1-(2-phenylethynyl)benzene Openeye Name: 2-[2-(4-heptylcyclohexyl)ethyl]-4-hept-1-ynyl-1-(2-phenylethynyl)benzene CAS Name: 2-[2-(4-heptylcyclohexyl)ethyl]-4-hept-1-ynyl-1-(2-phenylethynyl)benzene IUPAC Name: 2-[2-(4-heptylcyclohexyl)ethyl]-4-hept-1-ynyl-1-(2-phenylethynyl)benzene Traditional Name: 2-[2-(4-heptylcyclohexyl)ethyl]-4-hept-1-ynyl-1-(2-phenylethynyl)benzene Formula: C36H48 MolecularWeight: 480.76632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)CCC2=C(C=CC(=C2)C#CCCCCC)C#CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCC1CCC(CC1)CCC2=C(C=CC(=C2)C#CCCCCC)C#CC3=CC=CC=C3

InChI

InChI=1S/C36H48/c1-3-5-7-9-12-18-32-20-22-33(23-21-32)25-29-36-30-34(19-13-10-8-6-4-2)26-28-35(36)27-24-31-16-14-11-15-17-31/h11,14-17,26,28,30,32-33H,3-10,12,18,20-23,25,29H2,1-2H3