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4,4,4-trinitrobutanoic acid

4,4,4-trinitrobutanoic acid

Systemtic Name:4,4,4-trinitrobutanoic acid
Openeye Name:4,4,4-trinitrobutanoic acid
CAS Name:4,4,4-trinitrobutanoic acid
IUPAC Name:4,4,4-trinitrobutanoic acid
Traditional Name:4,4,4-trinitrobutyric acid
Formula: C4H5N3O8
MolecularWeight: 223.0978
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C4H5N3O8/c8-3(9)1-2-4(5(10)11,6(12)13)7(14)15/h1-2H2,(H,8,9)


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