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Substance Name: Benzenesulfonic acid, calcium salt, hydrate (2:1:1)
ID: DB50695000
InChIKey: RBZMBUHZPQXOBZ-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H10-O6-S2.Ca.H2-O

Molecular Weight

  • 372.4298
 
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Names and Synonyms

Synonym

  • Calcium benzenesulfonic acid hydrate

Systematic Name

  • Benzenesulfonic acid, calcium salt, hydrate (2:1:1)

Registry Numbers

ID Number

  • NIOSH/DB5069500

System Generated Number

  • DB50695000

Molecular Formulas

Molecular Formula

  • C12-H10-O6-S2.Ca.H2-O

Molecular Formula Fragments

  • C12-H10-O6-S2
  • Ca
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C6H6O3S.Ca.H2O/c2*7-10(8,9)6-4-2-1-3-5-6;;/h2*1-5H,(H,7,8,9);;1H2/q;;+2;/p-2

InChIKey

RBZMBUHZPQXOBZ-UHFFFAOYSA-L

Smiles

[Ca+2].c1(S(=O)(=O)[O-])ccccc1.c1(ccccc1)S(=O)(=O)[O-].O