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

Systemtic Name: [3-hex-1-ynyl-4-(2-phenylethynyl)phenyl] 4-ethylcyclohexane-1-carboxylate Openeye Name: [3-hex-1-ynyl-4-(2-phenylethynyl)phenyl] 4-ethylcyclohexanecarboxylate CAS Name: 4-ethyl-1-cyclohexanecarboxylic acid [3-hex-1-ynyl-4-(2-phenylethynyl)phenyl] ester IUPAC Name: [3-hex-1-ynyl-4-(2-phenylethynyl)phenyl] 4-ethylcyclohexane-1-carboxylate Traditional Name: 4-ethylcyclohexanecarboxylic acid [3-hex-1-ynyl-4-(2-phenylethynyl)phenyl] ester Formula: C29H32O2 MolecularWeight: 412.56318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=C(C=CC(=C1)OC(=O)C2CCC(CC2)CC)C#CC3=CC=CC=C3

Isomeric SMILES

CCCCC#CC1=C(C=CC(=C1)OC(=O)C2CCC(CC2)CC)C#CC3=CC=CC=C3

InChI

InChI=1S/C29H32O2/c1-3-5-6-10-13-27-22-28(31-29(30)26-18-14-23(4-2)15-19-26)21-20-25(27)17-16-24-11-8-7-9-12-24/h7-9,11-12,20-23,26H,3-6,14-15,18-19H2,1-2H3