2-[2-(4-hexylcyclohexyl)ethyl]-4-pent-1-ynyl-1-(2-phenylethynyl)benzene

Systemtic Name: 2-[2-(4-hexylcyclohexyl)ethyl]-4-pent-1-ynyl-1-(2-phenylethynyl)benzene Openeye Name: 2-[2-(4-hexylcyclohexyl)ethyl]-4-pent-1-ynyl-1-(2-phenylethynyl)benzene CAS Name: 2-[2-(4-hexylcyclohexyl)ethyl]-4-pent-1-ynyl-1-(2-phenylethynyl)benzene IUPAC Name: 2-[2-(4-hexylcyclohexyl)ethyl]-4-pent-1-ynyl-1-(2-phenylethynyl)benzene Traditional Name: 2-[2-(4-hexylcyclohexyl)ethyl]-4-pent-1-ynyl-1-(2-phenylethynyl)benzene Formula: C33H42 MolecularWeight: 438.68658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC(CC1)CCC2=C(C=CC(=C2)C#CCCC)C#CC3=CC=CC=C3

Isomeric SMILES

CCCCCCC1CCC(CC1)CCC2=C(C=CC(=C2)C#CCCC)C#CC3=CC=CC=C3

InChI

InChI=1S/C33H42/c1-3-5-7-10-15-29-17-19-30(20-18-29)22-26-33-27-31(16-9-6-4-2)23-25-32(33)24-21-28-13-11-8-12-14-28/h8,11-14,23,25,27,29-30H,3-7,10,15,17-20,22,26H2,1-2H3