disodium 1-[1,2-disulfoethyl(oxidanyl)amino]ethane-1,2-disulfonate

Systemtic Name: disodium 1-[1,2-disulfoethyl(oxidanyl)amino]ethane-1,2-disulfonate Openeye Name: disodium 1-[1,2-disulfoethyl(hydroxy)amino]ethane-1,2-disulfonate CAS Name: disodium 1-[1,2-disulfoethyl(hydroxy)amino]ethane-1,2-disulfonate IUPAC Name: disodium 1-[1,2-disulfoethyl(hydroxy)amino]ethane-1,2-disulfonate Traditional Name: disodium 1-[1,2-disulfoethyl(hydroxy)amino]ethane-1,2-disulfonate Formula: C4H9NNa2O13S4 MolecularWeight: 453.3527

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Descriptors Computed from Structure

Canonical SMILES:

C(C(N(C(CS(=O)(=O)[O-])S(=O)(=O)[O-])O)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+]

Isomeric SMILES

C(C(N(C(CS(=O)(=O)[O-])S(=O)(=O)[O-])O)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+]

InChI

InChI=1S/C4H11NO13S4.2Na/c6-5(3(21(13,14)15)1-19(7,8)9)4(22(16,17)18)2-20(10,11)12;;/h3-4,6H,1-2H2,(H,7,8,9)(H,10,11,12)(H,13,14,15)(H,16,17,18);;/q;2*+1/p-2