[4-(4-octylcyclohexyl)cyclohexyl] 3-cyano-4-nonoxy-benzoate

Systemtic Name: [4-(4-octylcyclohexyl)cyclohexyl] 3-cyano-4-nonoxy-benzoate Openeye Name: [4-(4-octylcyclohexyl)cyclohexyl] 3-cyano-4-nonoxy-benzoate CAS Name: 3-cyano-4-nonoxybenzoic acid [4-(4-octylcyclohexyl)cyclohexyl] ester IUPAC Name: [4-(4-octylcyclohexyl)cyclohexyl] 3-cyano-4-nonoxybenzoate Traditional Name: 3-cyano-4-nonoxy-benzoic acid [4-(4-octylcyclohexyl)cyclohexyl] ester Formula: C37H59NO3 MolecularWeight: 565.86926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2CCC(CC2)C3CCC(CC3)CCCCCCCC)C#N

Isomeric SMILES

CCCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2CCC(CC2)C3CCC(CC3)CCCCCCCC)C#N

InChI

InChI=1S/C37H59NO3/c1-3-5-7-9-11-13-15-27-40-36-26-23-33(28-34(36)29-38)37(39)41-35-24-21-32(22-25-35)31-19-17-30(18-20-31)16-14-12-10-8-6-4-2/h23,26,28,30-32,35H,3-22,24-25,27H2,1-2H3