4-cyano-4-heptyl-3-[4-(4-octylphenyl)phenyl]cyclohexane-1-carboxylate

Systemtic Name: 4-cyano-4-heptyl-3-[4-(4-octylphenyl)phenyl]cyclohexane-1-carboxylate Openeye Name: 4-cyano-4-heptyl-3-[4-(4-octylphenyl)phenyl]cyclohexanecarboxylate CAS Name: 4-cyano-4-heptyl-3-[4-(4-octylphenyl)phenyl]-1-cyclohexanecarboxylate IUPAC Name: 4-cyano-4-heptyl-3-[4-(4-octylphenyl)phenyl]cyclohexane-1-carboxylate Traditional Name: 4-cyano-4-heptyl-3-[4-(4-octylphenyl)phenyl]cyclohexanecarboxylate Formula: C35H48NO2- MolecularWeight: 514.76112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3CC(CCC3(CCCCCCC)C#N)C(=O)[O-]

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3CC(CCC3(CCCCCCC)C#N)C(=O)[O-]

InChI

InChI=1S/C35H49NO2/c1-3-5-7-9-10-12-14-28-15-17-29(18-16-28)30-19-21-31(22-20-30)33-26-32(34(37)38)23-25-35(33,27-36)24-13-11-8-6-4-2/h15-22,32-33H,3-14,23-26H2,1-2H3,(H,37,38)/p-1