[4-(1-cyanononyl)phenyl] 4-(4-octoxyphenyl)benzoate

Systemtic Name: [4-(1-cyanononyl)phenyl] 4-(4-octoxyphenyl)benzoate Openeye Name: [4-(1-cyanononyl)phenyl] 4-(4-octoxyphenyl)benzoate CAS Name: 4-(4-octoxyphenyl)benzoic acid [4-(1-cyanononyl)phenyl] ester IUPAC Name: [4-(1-cyanononyl)phenyl] 4-(4-octoxyphenyl)benzoate Traditional Name: 4-(4-octoxyphenyl)benzoic acid [4-(1-cyanononyl)phenyl] ester Formula: C37H47NO3 MolecularWeight: 553.77398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C#N)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCCCCC

Isomeric SMILES

CCCCCCCCC(C#N)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCCCCC

InChI

InChI=1S/C37H47NO3/c1-3-5-7-9-11-13-15-34(29-38)32-22-26-36(27-23-32)41-37(39)33-18-16-30(17-19-33)31-20-24-35(25-21-31)40-28-14-12-10-8-6-4-2/h16-27,34H,3-15,28H2,1-2H3