4-(3-nitro-4-octoxy-phenyl)benzoate

Systemtic Name: 4-(3-nitro-4-octoxy-phenyl)benzoate Openeye Name: 4-(3-nitro-4-octoxy-phenyl)benzoate CAS Name: 4-(3-nitro-4-octoxyphenyl)benzoate IUPAC Name: 4-(3-nitro-4-octoxyphenyl)benzoate Traditional Name: 4-(3-nitro-4-octoxy-phenyl)benzoate Formula: C21H24NO5- MolecularWeight: 370.41896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H25NO5/c1-2-3-4-5-6-7-14-27-20-13-12-18(15-19(20)22(25)26)16-8-10-17(11-9-16)21(23)24/h8-13,15H,2-7,14H2,1H3,(H,23,24)/p-1