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

Systemtic Name: [4-(4-octoxyphenyl)phenyl] 3-cyano-4-(4-nonylphenyl)benzoate Openeye Name: [4-(4-octoxyphenyl)phenyl] 3-cyano-4-(4-nonylphenyl)benzoate CAS Name: 3-cyano-4-(4-nonylphenyl)benzoic acid [4-(4-octoxyphenyl)phenyl] ester IUPAC Name: [4-(4-octoxyphenyl)phenyl] 3-cyano-4-(4-nonylphenyl)benzoate Traditional Name: 3-cyano-4-(4-nonylphenyl)benzoic acid [4-(4-octoxyphenyl)phenyl] ester Formula: C43H51NO3 MolecularWeight: 629.86994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)OCCCCCCCC)C#N

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)OCCCCCCCC)C#N

InChI

InChI=1S/C43H51NO3/c1-3-5-7-9-11-12-14-16-34-17-19-37(20-18-34)42-30-25-38(32-39(42)33-44)43(45)47-41-28-23-36(24-29-41)35-21-26-40(27-22-35)46-31-15-13-10-8-6-4-2/h17-30,32H,3-16,31H2,1-2H3