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Substance Name: Barium benzenesulfonate
RN: 515-72-0
UNII: 40HD39HR3L
InChIKey: ZKGZWXFMFNRPKQ-UHFFFAOYSA-L

Molecular Formula

  • C6-H6-O3-S.1/2Ba

Molecular Weight

  • 451.667
 
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Names and Synonyms

Name of Substance

  • Barium benzenesulfonate

Synonyms

  • EINECS 208-206-4
  • UNII-40HD39HR3L

Systematic Name

  • Barium di(benzenesulphonate)

Registry Numbers

CAS Registry Number

  • 515-72-0

FDA UNII

  • 40HD39HR3L

System Generated Number

  • 0000515720

Molecular Formulas

Molecular Formula

  • C6-H6-O3-S.1/2Ba

Molecular Formula Fragments

  • Ba
  • C6-H6-O3-S
  • COMPONENT

Structure Descriptors

InChI

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

InChIKey

ZKGZWXFMFNRPKQ-UHFFFAOYSA-L

Smiles

S(=O)(c1ccccc1)([O-])=O.S([O-])(=O)(=O)c1ccccc1.[Ba+2]

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.030 (none)   EST
Atmospheric OH Rate Constant 8.34E-13 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.