2-ethyl-1-nitro-butane-1,2-disulfonic acid

Systemtic Name: 2-ethyl-1-nitro-butane-1,2-disulfonic acid Openeye Name: 2-ethyl-1-nitro-butane-1,2-disulfonic acid CAS Name: 2-ethyl-1-nitrobutane-1,2-disulfonic acid IUPAC Name: 2-ethyl-1-nitrobutane-1,2-disulfonic acid Traditional Name: 2-ethyl-1-nitro-butane-1,2-disulfonic acid Formula: C6H13NO8S2 MolecularWeight: 291.29932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H13NO8S2/c1-3-6(4-2,17(13,14)15)5(7(8)9)16(10,11)12/h5H,3-4H2,1-2H3,(H,10,11,12)(H,13,14,15)