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 Formula	C₂H₈Na₂O₈S₂
Molecular Weight	270.2 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	1
Exact Mass	269.94559812 g/mol
Monoisotopic Mass	269.94559812 g/mol
Topological Polar Surface Area	133 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	212
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	5

Sodium 1,2-Ethanedisulfonate Dihydrate