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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H42/c1-3-5-6-7-8-10-16-29-17-19-30(20-18-29)22-26-33-27-31(13-4-2)23-25-32(33)24-21-28-14-11-9-12-15-28/h9,11-12,14-15,23,25,27,29-30H,3,5-8,10,16-20,22,26H2,1-2H3