(2-cyano-4-nonyl-phenyl) 1-[4-(2-methylheptyl)phenyl]cyclohexane-1-carboxylate

Systemtic Name: (2-cyano-4-nonyl-phenyl) 1-[4-(2-methylheptyl)phenyl]cyclohexane-1-carboxylate Openeye Name: (2-cyano-4-nonyl-phenyl) 1-[4-(2-methylheptyl)phenyl]cyclohexanecarboxylate CAS Name: 1-[4-(2-methylheptyl)phenyl]-1-cyclohexanecarboxylic acid (2-cyano-4-nonylphenyl) ester IUPAC Name: (2-cyano-4-nonylphenyl) 1-[4-(2-methylheptyl)phenyl]cyclohexane-1-carboxylate Traditional Name: 1-[4-(2-methylheptyl)phenyl]cyclohexanecarboxylic acid (2-cyano-4-nonyl-phenyl) ester Formula: C37H53NO2 MolecularWeight: 543.82222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)CC(C)CCCCC)C#N

Isomeric SMILES

CCCCCCCCCC1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)CC(C)CCCCC)C#N

InChI

InChI=1S/C37H53NO2/c1-4-6-8-9-10-11-14-18-31-21-24-35(33(28-31)29-38)40-36(39)37(25-15-12-16-26-37)34-22-19-32(20-23-34)27-30(3)17-13-7-5-2/h19-24,28,30H,4-18,25-27H2,1-3H3