3-(hydroxymethyl)-4,4,4-trinitro-butanoic acid

Systemtic Name: 3-(hydroxymethyl)-4,4,4-trinitro-butanoic acid Openeye Name: 3-(hydroxymethyl)-4,4,4-trinitro-butanoic acid CAS Name: 3-(hydroxymethyl)-4,4,4-trinitrobutanoic acid IUPAC Name: 3-(hydroxymethyl)-4,4,4-trinitrobutanoic acid Traditional Name: 3-methylol-4,4,4-trinitro-butyric acid Formula: C5H7N3O9 MolecularWeight: 253.12378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H7N3O9/c9-2-3(1-4(10)11)5(6(12)13,7(14)15)8(16)17/h3,9H,1-2H2,(H,10,11)