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

Systemtic Name: [3-pent-1-ynyl-4-(2-phenylethynyl)phenyl] 4-pentylcyclohexane-1-carboxylate Openeye Name: [3-pent-1-ynyl-4-(2-phenylethynyl)phenyl] 4-pentylcyclohexanecarboxylate CAS Name: 4-pentyl-1-cyclohexanecarboxylic acid [3-pent-1-ynyl-4-(2-phenylethynyl)phenyl] ester IUPAC Name: [3-pent-1-ynyl-4-(2-phenylethynyl)phenyl] 4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amylcyclohexanecarboxylic acid [3-pent-1-ynyl-4-(2-phenylethynyl)phenyl] ester Formula: C31H36O2 MolecularWeight: 440.61634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C(=O)OC2=CC(=C(C=C2)C#CC3=CC=CC=C3)C#CCCC

Isomeric SMILES

CCCCCC1CCC(CC1)C(=O)OC2=CC(=C(C=C2)C#CC3=CC=CC=C3)C#CCCC

InChI

InChI=1S/C31H36O2/c1-3-5-8-12-26-17-20-28(21-18-26)31(32)33-30-23-22-27(29(24-30)15-9-6-4-2)19-16-25-13-10-7-11-14-25/h7,10-11,13-14,22-24,26,28H,3-6,8,12,17-18,20-21H2,1-2H3