trisodium 1-oxidanylethane-1,1-disulfonate

Systemtic Name: trisodium 1-oxidanylethane-1,1-disulfonate Openeye Name: trisodium 1-hydroxyethane-1,1-disulfonate CAS Name: trisodium 1-hydroxyethane-1,1-disulfonate IUPAC Name: trisodium 1-hydroxyethane-1,1-disulfonate Traditional Name: trisodium 1-hydroxyethane-1,1-disulfonate Formula: C6H12Na3O21S6-3 MolecularWeight: 681.50619

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(O)(S(=O)(=O)[O-])S(=O)(=O)[O-].CC(O)(S(=O)(=O)[O-])S(=O)(=O)[O-].CC(O)(S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CC(O)(S(=O)(=O)[O-])S(=O)(=O)[O-].CC(O)(S(=O)(=O)[O-])S(=O)(=O)[O-].CC(O)(S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/3C2H6O7S2.3Na/c3*1-2(3,10(4,5)6)11(7,8)9;;;/h3*3H,1H3,(H,4,5,6)(H,7,8,9);;;/q;;;3*+1/p-6