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

Systemtic Name: [3-hex-1-ynyl-4-(2-phenylethynyl)phenyl] 4-pentylcyclohexane-1-carboxylate Openeye Name: [3-hex-1-ynyl-4-(2-phenylethynyl)phenyl] 4-pentylcyclohexanecarboxylate CAS Name: 4-pentyl-1-cyclohexanecarboxylic acid [3-hex-1-ynyl-4-(2-phenylethynyl)phenyl] ester IUPAC Name: [3-hex-1-ynyl-4-(2-phenylethynyl)phenyl] 4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amylcyclohexanecarboxylic acid [3-hex-1-ynyl-4-(2-phenylethynyl)phenyl] ester Formula: C32H38O2 MolecularWeight: 454.64292

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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#CCCCC

Isomeric SMILES

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

InChI

InChI=1S/C32H38O2/c1-3-5-7-12-16-30-25-31(24-23-28(30)20-17-26-14-10-8-11-15-26)34-32(33)29-21-18-27(19-22-29)13-9-6-4-2/h8,10-11,14-15,23-25,27,29H,3-7,9,13,18-19,21-22H2,1-2H3