4-(4-hexoxy-3-nitro-phenyl)benzoic acid

Systemtic Name: 4-(4-hexoxy-3-nitro-phenyl)benzoic acid Openeye Name: 4-(4-hexoxy-3-nitro-phenyl)benzoic acid CAS Name: 4-(4-hexoxy-3-nitrophenyl)benzoic acid IUPAC Name: 4-(4-hexoxy-3-nitrophenyl)benzoic acid Traditional Name: 4-(4-hexoxy-3-nitro-phenyl)benzoic acid Formula: C19H21NO5 MolecularWeight: 343.37374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C19H21NO5/c1-2-3-4-5-12-25-18-11-10-16(13-17(18)20(23)24)14-6-8-15(9-7-14)19(21)22/h6-11,13H,2-5,12H2,1H3,(H,21,22)