[4-(4-octoxyphenyl)phenyl] 3-cyano-4-nonyl-benzoate

Systemtic Name: [4-(4-octoxyphenyl)phenyl] 3-cyano-4-nonyl-benzoate Openeye Name: [4-(4-octoxyphenyl)phenyl] 3-cyano-4-nonyl-benzoate CAS Name: 3-cyano-4-nonylbenzoic acid [4-(4-octoxyphenyl)phenyl] ester IUPAC Name: [4-(4-octoxyphenyl)phenyl] 3-cyano-4-nonylbenzoate Traditional Name: 3-cyano-4-nonyl-benzoic acid [4-(4-octoxyphenyl)phenyl] ester Formula: C37H47NO3 MolecularWeight: 553.77398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCCCCC)C#N

Isomeric SMILES

CCCCCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCCCCC)C#N

InChI

InChI=1S/C37H47NO3/c1-3-5-7-9-11-12-14-16-30-17-18-33(28-34(30)29-38)37(39)41-36-25-21-32(22-26-36)31-19-23-35(24-20-31)40-27-15-13-10-8-6-4-2/h17-26,28H,3-16,27H2,1-2H3