6-(hydroxymethyl)-6-nitro-7-oxidanyl-heptanoic acid

Systemtic Name: 6-(hydroxymethyl)-6-nitro-7-oxidanyl-heptanoic acid Openeye Name: 7-hydroxy-6-(hydroxymethyl)-6-nitro-heptanoic acid CAS Name: 7-hydroxy-6-(hydroxymethyl)-6-nitroheptanoic acid IUPAC Name: 7-hydroxy-6-(hydroxymethyl)-6-nitroheptanoic acid Traditional Name: 7-hydroxy-6-methylol-6-nitro-enanthic acid Formula: C8H15NO6 MolecularWeight: 221.2078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H15NO6/c10-5-8(6-11,9(14)15)4-2-1-3-7(12)13/h10-11H,1-6H2,(H,12,13)