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Substance Name: Barium, (3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione-N7,O6)(2-hydroxybenzoato(2-)-O1,O2)-, (T-4)-
RN: 77254-84-3
InChIKey: RBCVPEZJMMNNEZ-UHFFFAOYSA-L

Molecular Formula

  • C14-H12-Ba-N4-O5

Molecular Weight

  • 453.602
 
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Names and Synonyms

  • Barium, (3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione-N7,O6)(2-hydroxybenzoato(2-)-O1,O2)-, (T-4)-

Registry Numbers

CAS Registry Number

  • 77254-84-3

System Generated Number

  • 0077254843

Structure Descriptors

InChI

1S/C7H8N4O2.C7H6O3.Ba/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;8-6-4-2-1-3-5(6)7(9)10;/h3H,1-2H3,(H,8,9);1-4,8H,(H,9,10);/q;;+2/p-2

InChIKey

RBCVPEZJMMNNEZ-UHFFFAOYSA-L

Smiles

n1c[nH]c2c1n(C)c(=O)n(C)c2=O.c1ccc(c(c1)C([O-])=O)[O-].[Ba+2]