5-[2,4-bis(chloranyl)phenoxy]-2-nitro-benzoate; butylazanium

Systemtic Name: 5-[2,4-bis(chloranyl)phenoxy]-2-nitro-benzoate; butylazanium Openeye Name: butylammonium; 5-(2,4-dichlorophenoxy)-2-nitro-benzoate CAS Name: butylammonium; 5-(2,4-dichlorophenoxy)-2-nitrobenzoate IUPAC Name: butylazanium; 5-(2,4-dichlorophenoxy)-2-nitrobenzoate Traditional Name: butylammonium; 5-(2,4-dichlorophenoxy)-2-nitro-benzoate Formula: C17H18Cl2N2O5 MolecularWeight: 401.24122

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH3+].C1=CC(=C(C=C1OC2=C(C=C(C=C2)Cl)Cl)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCC[NH3+].C1=CC(=C(C=C1OC2=C(C=C(C=C2)Cl)Cl)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H7Cl2NO5.C4H11N/c14-7-1-4-12(10(15)5-7)21-8-2-3-11(16(19)20)9(6-8)13(17)18;1-2-3-4-5/h1-6H,(H,17,18);2-5H2,1H3