(3R,4R,5S)-3-methyl-3-nitro-4,5-bis(oxidanyl)hexanal

Systemtic Name: (3R,4R,5S)-3-methyl-3-nitro-4,5-bis(oxidanyl)hexanal Openeye Name: (3R,4R,5S)-4,5-dihydroxy-3-methyl-3-nitro-hexanal CAS Name: (3R,4R,5S)-4,5-dihydroxy-3-methyl-3-nitrohexanal IUPAC Name: (3R,4R,5S)-4,5-dihydroxy-3-methyl-3-nitrohexanal Traditional Name: (3R,4R,5S)-4,5-dihydroxy-3-methyl-3-nitro-hexanal Formula: C7H13NO5 MolecularWeight: 191.18182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H13NO5/c1-5(10)6(11)7(2,3-4-9)8(12)13/h4-6,10-11H,3H2,1-2H3/t5-,6-,7+/m0/s1