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

Systemtic Name: [3-pent-1-ynyl-4-(2-phenylethynyl)phenyl] 4-butylcyclohexane-1-carboxylate Openeye Name: [3-pent-1-ynyl-4-(2-phenylethynyl)phenyl] 4-butylcyclohexanecarboxylate CAS Name: 4-butyl-1-cyclohexanecarboxylic acid [3-pent-1-ynyl-4-(2-phenylethynyl)phenyl] ester IUPAC Name: [3-pent-1-ynyl-4-(2-phenylethynyl)phenyl] 4-butylcyclohexane-1-carboxylate Traditional Name: 4-butylcyclohexanecarboxylic acid [3-pent-1-ynyl-4-(2-phenylethynyl)phenyl] ester Formula: C30H34O2 MolecularWeight: 426.58976

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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#CCCC

Isomeric SMILES

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

InChI

InChI=1S/C30H34O2/c1-3-5-8-14-28-23-29(22-21-26(28)18-15-24-12-9-7-10-13-24)32-30(31)27-19-16-25(17-20-27)11-6-4-2/h7,9-10,12-13,21-23,25,27H,3-6,11,16-17,19-20H2,1-2H3