4-cyano-2-[4-(4-nonoxyphenyl)phenyl]benzoic acid

Systemtic Name: 4-cyano-2-[4-(4-nonoxyphenyl)phenyl]benzoic acid Openeye Name: 4-cyano-2-[4-(4-nonoxyphenyl)phenyl]benzoic acid CAS Name: 4-cyano-2-[4-(4-nonoxyphenyl)phenyl]benzoic acid IUPAC Name: 4-cyano-2-[4-(4-nonoxyphenyl)phenyl]benzoic acid Traditional Name: 4-cyano-2-[4-(4-nonoxyphenyl)phenyl]benzoic acid Formula: C29H31NO3 MolecularWeight: 441.56134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(C=CC(=C3)C#N)C(=O)O

Isomeric SMILES

CCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(C=CC(=C3)C#N)C(=O)O

InChI

InChI=1S/C29H31NO3/c1-2-3-4-5-6-7-8-19-33-26-16-14-24(15-17-26)23-10-12-25(13-11-23)28-20-22(21-30)9-18-27(28)29(31)32/h9-18,20H,2-8,19H2,1H3,(H,31,32)