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2D Structure
Also known as: Disodium 1,2-ethanedisulfonate dihydrate, 1,2-ethanedisulfonic acid, disodium salt, dihydrate, 1,2-ethanedisulfonic acid sodium salt dihydrate [mi], I1167l4m19, 1,2-ethanedisulfonic acid, sodium salt, hydrate (1:2:2), 5982-57-0
Molecular Formula
C2H8Na2O8S2
Molecular Weight
270.2  g/mol
InChI Key
SDYNGKOSAFDDNC-UHFFFAOYSA-L
FDA UNII
I1167L4M19

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
disodium;ethane-1,2-disulfonate;dihydrate
2.1.2 InChI
InChI=1S/C2H6O6S2.2Na.2H2O/c3-9(4,5)1-2-10(6,7)8;;;;/h1-2H2,(H,3,4,5)(H,6,7,8);;;2*1H2/q;2*+1;;/p-2
2.1.3 InChI Key
SDYNGKOSAFDDNC-UHFFFAOYSA-L
2.1.4 Canonical SMILES
C(CS(=O)(=O)[O-])S(=O)(=O)[O-].O.O.[Na+].[Na+]
2.2 Other Identifiers
2.2.1 UNII
I1167L4M19
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Disodium 1,2-ethanedisulfonate Dihydrate

2. 1,2-ethanedisulfonic Acid, Disodium Salt, Dihydrate

3. 1,2-ethanedisulfonic Acid Sodium Salt Dihydrate [mi]

4. I1167l4m19

5. 1,2-ethanedisulfonic Acid, Sodium Salt, Hydrate (1:2:2)

6. 5982-57-0

7. Unii-i1167l4m19

8. Q27280227

2.4 Create Date
2014-04-13
3 Chemical and Physical Properties
Molecular Weight 270.2 g/mol
Molecular Formula C2H8Na2O8S2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count1
Exact Mass269.94559812 g/mol
Monoisotopic Mass269.94559812 g/mol
Topological Polar Surface Area133 Ų
Heavy Atom Count14
Formal Charge0
Complexity212
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count5