sodium 2,2-diphosphonoethanesulfonate hydrate

Systemtic Name: sodium 2,2-diphosphonoethanesulfonate hydrate Openeye Name: sodium 2,2-diphosphonoethanesulfonate hydrate CAS Name: sodium 2,2-diphosphonoethanesulfonate hydrate IUPAC Name: sodium 2,2-diphosphonoethanesulfonate hydrate Traditional Name: sodium 2,2-diphosphonoethanesulfonate hydrate Formula: C2H9NaO10P2S MolecularWeight: 310.089152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C2H8O9P2S.Na.H2O/c3-12(4,5)2(13(6,7)8)1-14(9,10)11;;/h2H,1H2,(H2,3,4,5)(H2,6,7,8)(H,9,10,11);;1H2/q;+1;/p-1