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

Systemtic Name: [3-hex-1-ynyl-4-(2-phenylethynyl)phenyl] 4-hexylcyclohexane-1-carboxylate Openeye Name: [3-hex-1-ynyl-4-(2-phenylethynyl)phenyl] 4-hexylcyclohexanecarboxylate CAS Name: 4-hexyl-1-cyclohexanecarboxylic acid [3-hex-1-ynyl-4-(2-phenylethynyl)phenyl] ester IUPAC Name: [3-hex-1-ynyl-4-(2-phenylethynyl)phenyl] 4-hexylcyclohexane-1-carboxylate Traditional Name: 4-hexylcyclohexanecarboxylic acid [3-hex-1-ynyl-4-(2-phenylethynyl)phenyl] ester Formula: C33H40O2 MolecularWeight: 468.6695

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#CCCCC

Isomeric SMILES

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

InChI

InChI=1S/C33H40O2/c1-3-5-7-10-16-28-19-22-30(23-20-28)33(34)35-32-25-24-29(21-18-27-14-11-9-12-15-27)31(26-32)17-13-8-6-4-2/h9,11-12,14-15,24-26,28,30H,3-8,10,16,19-20,22-23H2,1-2H3