[2-(hydroxymethyl)-1,5-bis(oxidanyl)pentan-2-yl] 2-nitroethanoate

Systemtic Name: [2-(hydroxymethyl)-1,5-bis(oxidanyl)pentan-2-yl] 2-nitroethanoate Openeye Name: [4-hydroxy-1,1-bis(hydroxymethyl)butyl] 2-nitroacetate CAS Name: 2-nitroacetic acid [1,5-dihydroxy-2-(hydroxymethyl)pentan-2-yl] ester IUPAC Name: [1,5-dihydroxy-2-(hydroxymethyl)pentan-2-yl] 2-nitroacetate Traditional Name: 2-nitroacetic acid (4-hydroxy-1,1-dimethylol-butyl) ester Formula: C8H15NO7 MolecularWeight: 237.2072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H15NO7/c10-3-1-2-8(5-11,6-12)16-7(13)4-9(14)15/h10-12H,1-6H2