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

Systemtic Name: 3,7-dimethyloctyl 4-[4-(4-cyano-4-octyl-cyclohexyl)phenyl]benzoate Openeye Name: 3,7-dimethyloctyl 4-[4-(4-cyano-4-octyl-cyclohexyl)phenyl]benzoate CAS Name: 4-[4-(4-cyano-4-octylcyclohexyl)phenyl]benzoic acid 3,7-dimethyloctyl ester IUPAC Name: 3,7-dimethyloctyl 4-[4-(4-cyano-4-octylcyclohexyl)phenyl]benzoate Traditional Name: 4-[4-(4-cyano-4-octyl-cyclohexyl)phenyl]benzoic acid 3,7-dimethyloctyl ester Formula: C38H55NO2 MolecularWeight: 557.8488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OCCC(C)CCCC(C)C)C#N

Isomeric SMILES

CCCCCCCCC1(CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OCCC(C)CCCC(C)C)C#N

InChI

InChI=1S/C38H55NO2/c1-5-6-7-8-9-10-25-38(29-39)26-22-35(23-27-38)34-16-14-32(15-17-34)33-18-20-36(21-19-33)37(40)41-28-24-31(4)13-11-12-30(2)3/h14-21,30-31,35H,5-13,22-28H2,1-4H3