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

Systemtic Name: [4-(4-octoxyphenyl)phenyl] 3-cyano-4-hexyl-benzoate Openeye Name: [4-(4-octoxyphenyl)phenyl] 3-cyano-4-hexyl-benzoate CAS Name: 3-cyano-4-hexylbenzoic acid [4-(4-octoxyphenyl)phenyl] ester IUPAC Name: [4-(4-octoxyphenyl)phenyl] 3-cyano-4-hexylbenzoate Traditional Name: 3-cyano-4-hexyl-benzoic acid [4-(4-octoxyphenyl)phenyl] ester Formula: C34H41NO3 MolecularWeight: 511.69424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)CCCCCC)C#N

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)CCCCCC)C#N

InChI

InChI=1S/C34H41NO3/c1-3-5-7-9-10-12-24-37-32-20-16-28(17-21-32)29-18-22-33(23-19-29)38-34(36)30-15-14-27(31(25-30)26-35)13-11-8-6-4-2/h14-23,25H,3-13,24H2,1-2H3