3-cyano-4-(4-hexoxyphenyl)carbonyloxy-benzoic acid

Systemtic Name: 3-cyano-4-(4-hexoxyphenyl)carbonyloxy-benzoic acid Openeye Name: 3-cyano-4-(4-hexoxybenzoyl)oxy-benzoic acid CAS Name: 3-cyano-4-[(4-hexoxyphenyl)-oxomethoxy]benzoic acid IUPAC Name: 3-cyano-4-(4-hexoxybenzoyl)oxybenzoic acid Traditional Name: 3-cyano-4-(4-hexoxybenzoyl)oxy-benzoic acid Formula: C21H21NO5 MolecularWeight: 367.39514

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO5/c1-2-3-4-5-12-26-18-9-6-15(7-10-18)21(25)27-19-11-8-16(20(23)24)13-17(19)14-22/h6-11,13H,2-5,12H2,1H3,(H,23,24)