[4-(4-hexylphenyl)phenyl] 3-chloranyl-1-cyano-cyclohexane-1-carboxylate

Systemtic Name: [4-(4-hexylphenyl)phenyl] 3-chloranyl-1-cyano-cyclohexane-1-carboxylate Openeye Name: [4-(4-hexylphenyl)phenyl] 3-chloro-1-cyano-cyclohexanecarboxylate CAS Name: 3-chloro-1-cyano-1-cyclohexanecarboxylic acid [4-(4-hexylphenyl)phenyl] ester IUPAC Name: [4-(4-hexylphenyl)phenyl] 3-chloro-1-cyanocyclohexane-1-carboxylate Traditional Name: 3-chloro-1-cyano-cyclohexanecarboxylic acid [4-(4-hexylphenyl)phenyl] ester Formula: C26H30ClNO2 MolecularWeight: 423.9749

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3(CCCC(C3)Cl)C#N

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3(CCCC(C3)Cl)C#N

InChI

InChI=1S/C26H30ClNO2/c1-2-3-4-5-7-20-9-11-21(12-10-20)22-13-15-24(16-14-22)30-25(29)26(19-28)17-6-8-23(27)18-26/h9-16,23H,2-8,17-18H2,1H3