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

Systemtic Name: 2-[2-(4-hexylcyclohexyl)ethyl]-1-(2-phenylethynyl)-4-prop-1-ynyl-benzene Openeye Name: 2-[2-(4-hexylcyclohexyl)ethyl]-1-(2-phenylethynyl)-4-prop-1-ynyl-benzene CAS Name: 2-[2-(4-hexylcyclohexyl)ethyl]-1-(2-phenylethynyl)-4-prop-1-ynylbenzene IUPAC Name: 2-[2-(4-hexylcyclohexyl)ethyl]-1-(2-phenylethynyl)-4-prop-1-ynylbenzene Traditional Name: 2-[2-(4-hexylcyclohexyl)ethyl]-1-(2-phenylethynyl)-4-prop-1-ynyl-benzene Formula: C31H38 MolecularWeight: 410.63342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H38/c1-3-5-6-8-14-27-15-17-28(18-16-27)20-24-31-25-29(11-4-2)21-23-30(31)22-19-26-12-9-7-10-13-26/h7,9-10,12-13,21,23,25,27-28H,3,5-6,8,14-18,20,24H2,1-2H3