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

Systemtic Name: [3-pent-1-ynyl-4-(2-phenylethynyl)phenyl] 4-octylcyclohexane-1-carboxylate Openeye Name: [3-pent-1-ynyl-4-(2-phenylethynyl)phenyl] 4-octylcyclohexanecarboxylate CAS Name: 4-octyl-1-cyclohexanecarboxylic acid [3-pent-1-ynyl-4-(2-phenylethynyl)phenyl] ester IUPAC Name: [3-pent-1-ynyl-4-(2-phenylethynyl)phenyl] 4-octylcyclohexane-1-carboxylate Traditional Name: 4-octylcyclohexanecarboxylic acid [3-pent-1-ynyl-4-(2-phenylethynyl)phenyl] ester Formula: C34H42O2 MolecularWeight: 482.69608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(CC1)C(=O)OC2=CC(=C(C=C2)C#CC3=CC=CC=C3)C#CCCC

Isomeric SMILES

CCCCCCCCC1CCC(CC1)C(=O)OC2=CC(=C(C=C2)C#CC3=CC=CC=C3)C#CCCC

InChI

InChI=1S/C34H42O2/c1-3-5-7-8-9-12-17-29-20-23-31(24-21-29)34(35)36-33-26-25-30(32(27-33)18-11-6-4-2)22-19-28-15-13-10-14-16-28/h10,13-16,25-27,29,31H,3-9,12,17,20-21,23-24H2,1-2H3