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

Systemtic Name: 4-hept-1-ynyl-2-[2-(4-hexylcyclohexyl)ethyl]-1-(2-phenylethynyl)benzene Openeye Name: 4-hept-1-ynyl-2-[2-(4-hexylcyclohexyl)ethyl]-1-(2-phenylethynyl)benzene CAS Name: 4-hept-1-ynyl-2-[2-(4-hexylcyclohexyl)ethyl]-1-(2-phenylethynyl)benzene IUPAC Name: 4-hept-1-ynyl-2-[2-(4-hexylcyclohexyl)ethyl]-1-(2-phenylethynyl)benzene Traditional Name: 4-hept-1-ynyl-2-[2-(4-hexylcyclohexyl)ethyl]-1-(2-phenylethynyl)benzene Formula: C35H46 MolecularWeight: 466.73974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H46/c1-3-5-7-9-12-18-33-25-27-34(26-23-30-15-13-10-14-16-30)35(29-33)28-24-32-21-19-31(20-22-32)17-11-8-6-4-2/h10,13-16,25,27,29,31-32H,3-9,11,17,19-22,24,28H2,1-2H3