(4-heptylcyclohexyl) 4-cyano-4-(4-nonylcyclohexyl)cyclohexane-1-carboxylate

Systemtic Name: (4-heptylcyclohexyl) 4-cyano-4-(4-nonylcyclohexyl)cyclohexane-1-carboxylate Openeye Name: (4-heptylcyclohexyl) 4-cyano-4-(4-nonylcyclohexyl)cyclohexanecarboxylate CAS Name: 4-cyano-4-(4-nonylcyclohexyl)-1-cyclohexanecarboxylic acid (4-heptylcyclohexyl) ester IUPAC Name: (4-heptylcyclohexyl) 4-cyano-4-(4-nonylcyclohexyl)cyclohexane-1-carboxylate Traditional Name: 4-cyano-4-(4-nonylcyclohexyl)cyclohexanecarboxylic acid (4-heptylcyclohexyl) ester Formula: C36H63NO2 MolecularWeight: 541.89092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1CCC(CC1)C2(CCC(CC2)C(=O)OC3CCC(CC3)CCCCCCC)C#N

Isomeric SMILES

CCCCCCCCCC1CCC(CC1)C2(CCC(CC2)C(=O)OC3CCC(CC3)CCCCCCC)C#N

InChI

InChI=1S/C36H63NO2/c1-3-5-7-9-10-12-14-15-30-17-21-33(22-18-30)36(29-37)27-25-32(26-28-36)35(38)39-34-23-19-31(20-24-34)16-13-11-8-6-4-2/h30-34H,3-28H2,1-2H3