4-methyl-4-nitro-1-oxidanyl-pentane-1-sulfonic acid

Systemtic Name: 4-methyl-4-nitro-1-oxidanyl-pentane-1-sulfonic acid Openeye Name: 1-hydroxy-4-methyl-4-nitro-pentane-1-sulfonic acid CAS Name: 1-hydroxy-4-methyl-4-nitro-1-pentanesulfonic acid IUPAC Name: 1-hydroxy-4-methyl-4-nitropentane-1-sulfonic acid Traditional Name: 1-hydroxy-4-methyl-4-nitro-pentane-1-sulfonic acid Formula: C6H13NO6S MolecularWeight: 227.23552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H13NO6S/c1-6(2,7(9)10)4-3-5(8)14(11,12)13/h5,8H,3-4H2,1-2H3,(H,11,12,13)