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

Systemtic Name: [3-but-1-ynyl-4-(2-phenylethynyl)phenyl] 4-hexylcyclohexane-1-carboxylate Openeye Name: [3-but-1-ynyl-4-(2-phenylethynyl)phenyl] 4-hexylcyclohexanecarboxylate CAS Name: 4-hexyl-1-cyclohexanecarboxylic acid [3-but-1-ynyl-4-(2-phenylethynyl)phenyl] ester IUPAC Name: [3-but-1-ynyl-4-(2-phenylethynyl)phenyl] 4-hexylcyclohexane-1-carboxylate Traditional Name: 4-hexylcyclohexanecarboxylic acid [3-but-1-ynyl-4-(2-phenylethynyl)phenyl] ester Formula: C31H36O2 MolecularWeight: 440.61634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC(CC1)C(=O)OC2=CC(=C(C=C2)C#CC3=CC=CC=C3)C#CCC

Isomeric SMILES

CCCCCCC1CCC(CC1)C(=O)OC2=CC(=C(C=C2)C#CC3=CC=CC=C3)C#CCC

InChI

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