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

Systemtic Name: [3-but-1-ynyl-4-(2-phenylethynyl)phenyl] 4-butylcyclohexane-1-carboxylate Openeye Name: [3-but-1-ynyl-4-(2-phenylethynyl)phenyl] 4-butylcyclohexanecarboxylate CAS Name: 4-butyl-1-cyclohexanecarboxylic acid [3-but-1-ynyl-4-(2-phenylethynyl)phenyl] ester IUPAC Name: [3-but-1-ynyl-4-(2-phenylethynyl)phenyl] 4-butylcyclohexane-1-carboxylate Traditional Name: 4-butylcyclohexanecarboxylic acid [3-but-1-ynyl-4-(2-phenylethynyl)phenyl] ester Formula: C29H32O2 MolecularWeight: 412.56318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)OC2=CC(=C(C=C2)C#CC3=CC=CC=C3)C#CCC

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)OC2=CC(=C(C=C2)C#CC3=CC=CC=C3)C#CCC

InChI

InChI=1S/C29H32O2/c1-3-5-10-24-15-18-26(19-16-24)29(30)31-28-21-20-25(27(22-28)13-6-4-2)17-14-23-11-8-7-9-12-23/h7-9,11-12,20-22,24,26H,3-5,10,15-16,18-19H2,1-2H3