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

Systemtic Name: [3-hex-1-ynyl-4-(2-phenylethynyl)phenyl] 4-butylcyclohexane-1-carboxylate Openeye Name: [3-hex-1-ynyl-4-(2-phenylethynyl)phenyl] 4-butylcyclohexanecarboxylate CAS Name: 4-butyl-1-cyclohexanecarboxylic acid [3-hex-1-ynyl-4-(2-phenylethynyl)phenyl] ester IUPAC Name: [3-hex-1-ynyl-4-(2-phenylethynyl)phenyl] 4-butylcyclohexane-1-carboxylate Traditional Name: 4-butylcyclohexanecarboxylic acid [3-hex-1-ynyl-4-(2-phenylethynyl)phenyl] ester Formula: C31H36O2 MolecularWeight: 440.61634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=C(C=CC(=C1)OC(=O)C2CCC(CC2)CCCC)C#CC3=CC=CC=C3

Isomeric SMILES

CCCCC#CC1=C(C=CC(=C1)OC(=O)C2CCC(CC2)CCCC)C#CC3=CC=CC=C3

InChI

InChI=1S/C31H36O2/c1-3-5-7-11-15-29-24-30(23-22-27(29)19-16-25-13-9-8-10-14-25)33-31(32)28-20-17-26(18-21-28)12-6-4-2/h8-10,13-14,22-24,26,28H,3-7,12,17-18,20-21H2,1-2H3