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

Systemtic Name: [3-but-1-ynyl-4-(2-phenylethynyl)phenyl] 4-heptylcyclohexane-1-carboxylate Openeye Name: [3-but-1-ynyl-4-(2-phenylethynyl)phenyl] 4-heptylcyclohexanecarboxylate CAS Name: 4-heptyl-1-cyclohexanecarboxylic acid [3-but-1-ynyl-4-(2-phenylethynyl)phenyl] ester IUPAC Name: [3-but-1-ynyl-4-(2-phenylethynyl)phenyl] 4-heptylcyclohexane-1-carboxylate Traditional Name: 4-heptylcyclohexanecarboxylic acid [3-but-1-ynyl-4-(2-phenylethynyl)phenyl] ester Formula: C32H38O2 MolecularWeight: 454.64292

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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#CCC

Isomeric SMILES

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

InChI

InChI=1S/C32H38O2/c1-3-5-7-8-10-15-27-18-21-29(22-19-27)32(33)34-31-24-23-28(30(25-31)16-6-4-2)20-17-26-13-11-9-12-14-26/h9,11-14,23-25,27,29H,3-5,7-8,10,15,18-19,21-22H2,1-2H3