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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC#CC1=CC(=C(C=C1)C#CC2=CC=CC=C2)CCC3CCC(CC3)CCCCCC

Isomeric SMILES

CCCCCCCC#CC1=CC(=C(C=C1)C#CC2=CC=CC=C2)CCC3CCC(CC3)CCCCCC

InChI

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