[3-pent-1-ynyl-4-(2-phenylethynyl)phenyl] 4-hexylcyclohexane-1-carboxylate

Systemtic Name: [3-pent-1-ynyl-4-(2-phenylethynyl)phenyl] 4-hexylcyclohexane-1-carboxylate Openeye Name: [3-pent-1-ynyl-4-(2-phenylethynyl)phenyl] 4-hexylcyclohexanecarboxylate CAS Name: 4-hexyl-1-cyclohexanecarboxylic acid [3-pent-1-ynyl-4-(2-phenylethynyl)phenyl] ester IUPAC Name: [3-pent-1-ynyl-4-(2-phenylethynyl)phenyl] 4-hexylcyclohexane-1-carboxylate Traditional Name: 4-hexylcyclohexanecarboxylic acid [3-pent-1-ynyl-4-(2-phenylethynyl)phenyl] ester Formula: C32H38O2 MolecularWeight: 454.64292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC(CC1)C(=O)OC2=CC(=C(C=C2)C#CC3=CC=CC=C3)C#CCCC

Isomeric SMILES

CCCCCCC1CCC(CC1)C(=O)OC2=CC(=C(C=C2)C#CC3=CC=CC=C3)C#CCCC

InChI

InChI=1S/C32H38O2/c1-3-5-7-10-15-27-18-21-29(22-19-27)32(33)34-31-24-23-28(30(25-31)16-9-6-4-2)20-17-26-13-11-8-12-14-26/h8,11-14,23-25,27,29H,3-7,10,15,18-19,21-22H2,1-2H3