sodium (1R,3E,4R,5R)-3-hydroxyimino-1-methyl-4,5-bis(oxidanyl)cyclohexane-1-carboxylate

Systemtic Name: sodium (1R,3E,4R,5R)-3-hydroxyimino-1-methyl-4,5-bis(oxidanyl)cyclohexane-1-carboxylate Openeye Name: sodium (1R,3R,4R,5E)-3,4-dihydroxy-5-hydroxyimino-1-methyl-cyclohexanecarboxylate CAS Name: sodium (1R,3R,4R,5E)-3,4-dihydroxy-5-hydroxyimino-1-methyl-1-cyclohexanecarboxylate IUPAC Name: sodium (1R,3R,4R,5E)-3,4-dihydroxy-5-hydroxyimino-1-methylcyclohexane-1-carboxylate Traditional Name: sodium (1R,3E,4R,5R)-3-hydroximino-4,5-dihydroxy-1-methyl-cyclohexanecarboxylate Formula: C8H12NNaO5 MolecularWeight: 225.17435

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C(C(=NO)C1)O)O)C(=O)[O-].[Na+]

Isomeric SMILES

C[C@@]1(C[C@H]([C@@H](/C(=N/O)/C1)O)O)C(=O)[O-].[Na+]

InChI

InChI=1S/C8H13NO5.Na/c1-8(7(12)13)2-4(9-14)6(11)5(10)3-8;/h5-6,10-11,14H,2-3H2,1H3,(H,12,13);/q;+1/p-1/b9-4+;/t5-,6-,8-;/m1./s1