3-methyl-4,4,4-trinitro-butanoic acid

Systemtic Name: 3-methyl-4,4,4-trinitro-butanoic acid Openeye Name: 3-methyl-4,4,4-trinitro-butanoic acid CAS Name: 3-methyl-4,4,4-trinitrobutanoic acid IUPAC Name: 3-methyl-4,4,4-trinitrobutanoic acid Traditional Name: 3-methyl-4,4,4-trinitro-butyric acid Formula: C5H7N3O8 MolecularWeight: 237.12438

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(CC(=O)O)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C5H7N3O8/c1-3(2-4(9)10)5(6(11)12,7(13)14)8(15)16/h3H,2H2,1H3,(H,9,10)