3,7-dimethyloctyl 4-[4-(4-cyano-4-hexyl-cyclohexyl)phenyl]benzoate

Systemtic Name: 3,7-dimethyloctyl 4-[4-(4-cyano-4-hexyl-cyclohexyl)phenyl]benzoate Openeye Name: 3,7-dimethyloctyl 4-[4-(4-cyano-4-hexyl-cyclohexyl)phenyl]benzoate CAS Name: 4-[4-(4-cyano-4-hexylcyclohexyl)phenyl]benzoic acid 3,7-dimethyloctyl ester IUPAC Name: 3,7-dimethyloctyl 4-[4-(4-cyano-4-hexylcyclohexyl)phenyl]benzoate Traditional Name: 4-[4-(4-cyano-4-hexyl-cyclohexyl)phenyl]benzoic acid 3,7-dimethyloctyl ester Formula: C36H51NO2 MolecularWeight: 529.79564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OCCC(C)CCCC(C)C)C#N

Isomeric SMILES

CCCCCCC1(CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OCCC(C)CCCC(C)C)C#N

InChI

InChI=1S/C36H51NO2/c1-5-6-7-8-23-36(27-37)24-20-33(21-25-36)32-14-12-30(13-15-32)31-16-18-34(19-17-31)35(38)39-26-22-29(4)11-9-10-28(2)3/h12-19,28-29,33H,5-11,20-26H2,1-4H3