(3R,4S,5R)-5-(hydroxymethyl)-3-methoxy-4-nitro-cyclohexene-1-carboxylic acid

Systemtic Name: (3R,4S,5R)-5-(hydroxymethyl)-3-methoxy-4-nitro-cyclohexene-1-carboxylic acid Openeye Name: (3R,4S,5R)-5-(hydroxymethyl)-3-methoxy-4-nitro-cyclohexene-1-carboxylic acid CAS Name: (3R,4S,5R)-5-(hydroxymethyl)-3-methoxy-4-nitro-1-cyclohexenecarboxylic acid IUPAC Name: (3R,4S,5R)-5-(hydroxymethyl)-3-methoxy-4-nitrocyclohexene-1-carboxylic acid Traditional Name: (3R,4S,5R)-3-methoxy-5-methylol-4-nitro-cyclohexene-1-carboxylic acid Formula: C9H13NO6 MolecularWeight: 231.20262

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Descriptors Computed from Structure

Canonical SMILES:

COC1C=C(CC(C1[N+](=O)[O-])CO)C(=O)O

Isomeric SMILES

CO[C@@H]1C=C(C[C@H]([C@@H]1[N+](=O)[O-])CO)C(=O)O

InChI

InChI=1S/C9H13NO6/c1-16-7-3-5(9(12)13)2-6(4-11)8(7)10(14)15/h3,6-8,11H,2,4H2,1H3,(H,12,13)/t6-,7+,8-/m0/s1