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

Systemtic Name: [3-hex-1-ynyl-4-(2-phenylethynyl)phenyl] 4-heptylcyclohexane-1-carboxylate Openeye Name: [3-hex-1-ynyl-4-(2-phenylethynyl)phenyl] 4-heptylcyclohexanecarboxylate CAS Name: 4-heptyl-1-cyclohexanecarboxylic acid [3-hex-1-ynyl-4-(2-phenylethynyl)phenyl] ester IUPAC Name: [3-hex-1-ynyl-4-(2-phenylethynyl)phenyl] 4-heptylcyclohexane-1-carboxylate Traditional Name: 4-heptylcyclohexanecarboxylic acid [3-hex-1-ynyl-4-(2-phenylethynyl)phenyl] ester Formula: C34H42O2 MolecularWeight: 482.69608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C(=O)OC2=CC(=C(C=C2)C#CC3=CC=CC=C3)C#CCCCC

Isomeric SMILES

CCCCCCCC1CCC(CC1)C(=O)OC2=CC(=C(C=C2)C#CC3=CC=CC=C3)C#CCCCC

InChI

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