2-ethyl-4,4,4-trinitro-butanoic acid

Systemtic Name: 2-ethyl-4,4,4-trinitro-butanoic acid Openeye Name: 2-ethyl-4,4,4-trinitro-butanoic acid CAS Name: 2-ethyl-4,4,4-trinitrobutanoic acid IUPAC Name: 2-ethyl-4,4,4-trinitrobutanoic acid Traditional Name: 2-ethyl-4,4,4-trinitro-butyric acid Formula: C6H9N3O8 MolecularWeight: 251.15096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H9N3O8/c1-2-4(5(10)11)3-6(7(12)13,8(14)15)9(16)17/h4H,2-3H2,1H3,(H,10,11)