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Substance Name: 6-Quinazolinesulfonic acid, 2-(7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl)-3,4-dihydro-4-oxo-, sodium salt (1:1)
RN: 56330-12-2
InChIKey: XTPVIFSXAHUCQF-UHFFFAOYSA-M

Molecular Formula

  • C21-H19-N3-O6-S.Na

Molecular Weight

  • 463.444
 
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Names and Synonyms

Synonym

  • EINECS 260-115-9

Systematic Names

  • 6-Quinazolinesulfonic acid, 2-(7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl)-1,4-dihydro-4-oxo-, monosodium salt
  • 6-Quinazolinesulfonic acid, 2-(7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl)-3,4-dihydro-4-oxo-, sodium salt (1:1)
  • Sodium 2-(7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl)-1,4-dihydro-4-oxoquinazoline-6-sulphonate

Registry Numbers

CAS Registry Number

  • 56330-12-2

System Generated Number

  • 0056330122

Molecular Formulas

Molecular Formula

  • C21-H19-N3-O6-S.Na

Molecular Formula Fragments

  • C21-H19-N3-O6-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C21H19N3O6S.Na/c1-3-24(4-2)13-6-5-12-9-16(21(26)30-18(12)10-13)19-22-17-8-7-14(31(27,28)29)11-15(17)20(25)23-19;/h5-11H,3-4H2,1-2H3,(H,22,23,25)(H,27,28,29);/q;+1/p-1

InChIKey

XTPVIFSXAHUCQF-UHFFFAOYSA-M

Smiles

c12oc(=O)c(c3nc4ccc(S(=O)(=O)[O-])cc4c(O)n3)cc1ccc(N(CC)CC)c2.[Na+]