[1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl] 4-propylcyclohexane-1-carboxylate

Systemtic Name: [1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl] 4-propylcyclohexane-1-carboxylate Openeye Name: [1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl] 4-propylcyclohexanecarboxylate CAS Name: 4-propyl-1-cyclohexanecarboxylic acid [1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl] ester IUPAC Name: [1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl] 4-propylcyclohexane-1-carboxylate Traditional Name: 4-propylcyclohexanecarboxylic acid [1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl] ester Formula: C27H44O2 MolecularWeight: 400.63706

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC(CC1)C2CCC(CC2)(C#C)OC(=O)C3CCC(CC3)CCC

Isomeric SMILES

CCCC1CCC(CC1)C2CCC(CC2)(C#C)OC(=O)C3CCC(CC3)CCC

InChI

InChI=1S/C27H44O2/c1-4-7-21-9-13-23(14-10-21)24-17-19-27(6-3,20-18-24)29-26(28)25-15-11-22(8-5-2)12-16-25/h3,21-25H,4-5,7-20H2,1-2H3