3-nitro-2-oxidanyl-heptanoic acid

Systemtic Name: 3-nitro-2-oxidanyl-heptanoic acid Openeye Name: 2-hydroxy-3-nitro-heptanoic acid CAS Name: 2-hydroxy-3-nitroheptanoic acid IUPAC Name: 2-hydroxy-3-nitroheptanoic acid Traditional Name: 2-hydroxy-3-nitro-enanthic acid Formula: C7H13NO5 MolecularWeight: 191.18182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H13NO5/c1-2-3-4-5(8(12)13)6(9)7(10)11/h5-6,9H,2-4H2,1H3,(H,10,11)