3-cyano-4-(2-cyano-4-hexoxy-phenyl)carbonyloxy-benzoic acid

Systemtic Name: 3-cyano-4-(2-cyano-4-hexoxy-phenyl)carbonyloxy-benzoic acid Openeye Name: 3-cyano-4-(2-cyano-4-hexoxy-benzoyl)oxy-benzoic acid CAS Name: 3-cyano-4-[(2-cyano-4-hexoxyphenyl)-oxomethoxy]benzoic acid IUPAC Name: 3-cyano-4-(2-cyano-4-hexoxybenzoyl)oxybenzoic acid Traditional Name: 3-cyano-4-(2-cyano-4-hexoxy-benzoyl)oxy-benzoic acid Formula: C22H20N2O5 MolecularWeight: 392.4046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC(=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(=O)O)C#N)C#N

Isomeric SMILES

CCCCCCOC1=CC(=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(=O)O)C#N)C#N

InChI

InChI=1S/C22H20N2O5/c1-2-3-4-5-10-28-18-7-8-19(16(12-18)13-23)22(27)29-20-9-6-15(21(25)26)11-17(20)14-24/h6-9,11-12H,2-5,10H2,1H3,(H,25,26)