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

Systemtic Name: 4-hept-1-ynyl-2-[2-(4-octylcyclohexyl)ethyl]-1-(2-phenylethynyl)benzene Openeye Name: 4-hept-1-ynyl-2-[2-(4-octylcyclohexyl)ethyl]-1-(2-phenylethynyl)benzene CAS Name: 4-hept-1-ynyl-2-[2-(4-octylcyclohexyl)ethyl]-1-(2-phenylethynyl)benzene IUPAC Name: 4-hept-1-ynyl-2-[2-(4-octylcyclohexyl)ethyl]-1-(2-phenylethynyl)benzene Traditional Name: 4-hept-1-ynyl-2-[2-(4-octylcyclohexyl)ethyl]-1-(2-phenylethynyl)benzene Formula: C37H50 MolecularWeight: 494.7929

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(CC1)CCC2=C(C=CC(=C2)C#CCCCCC)C#CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCC1CCC(CC1)CCC2=C(C=CC(=C2)C#CCCCCC)C#CC3=CC=CC=C3

InChI

InChI=1S/C37H50/c1-3-5-7-9-11-13-19-33-21-23-34(24-22-33)26-30-37-31-35(20-14-10-8-6-4-2)27-29-36(37)28-25-32-17-15-12-16-18-32/h12,15-18,27,29,31,33-34H,3-11,13,19,21-24,26,30H2,1-2H3