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

Systemtic Name: 3,7-dimethyloctyl 4-[4-(4-cyano-4-nonyl-cyclohexyl)phenyl]benzoate Openeye Name: 3,7-dimethyloctyl 4-[4-(4-cyano-4-nonyl-cyclohexyl)phenyl]benzoate CAS Name: 4-[4-(4-cyano-4-nonylcyclohexyl)phenyl]benzoic acid 3,7-dimethyloctyl ester IUPAC Name: 3,7-dimethyloctyl 4-[4-(4-cyano-4-nonylcyclohexyl)phenyl]benzoate Traditional Name: 4-[4-(4-cyano-4-nonyl-cyclohexyl)phenyl]benzoic acid 3,7-dimethyloctyl ester Formula: C39H57NO2 MolecularWeight: 571.87538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1(CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OCCC(C)CCCC(C)C)C#N

Isomeric SMILES

CCCCCCCCCC1(CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OCCC(C)CCCC(C)C)C#N

InChI

InChI=1S/C39H57NO2/c1-5-6-7-8-9-10-11-26-39(30-40)27-23-36(24-28-39)35-17-15-33(16-18-35)34-19-21-37(22-20-34)38(41)42-29-25-32(4)14-12-13-31(2)3/h15-22,31-32,36H,5-14,23-29H2,1-4H3