azanium; butane; 3-nitrobenzoate

Systemtic Name: azanium; butane; 3-nitrobenzoate Openeye Name: ammonium; butane; 3-nitrobenzoate CAS Name: ammonium; butane; 3-nitrobenzoate IUPAC Name: azanium; butane; 3-nitrobenzoate Traditional Name: ammonium; n-butane; 3-nitrobenzoate Formula: C11H18N2O4 MolecularWeight: 242.27162

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Descriptors Computed from Structure

Canonical SMILES:

CCCC.C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)[O-].[NH4+]

Isomeric SMILES

CCCC.C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)[O-].[NH4+]

InChI

InChI=1S/C7H5NO4.C4H10.H3N/c9-7(10)5-2-1-3-6(4-5)8(11)12;1-3-4-2;/h1-4H,(H,9,10);3-4H2,1-2H3;1H3