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Substance Name: 2-Naphthalenecarboxylic acid, 4-(2-(4-chloro-3-methyl-2-sulfophenyl)diazenyl)-3-hydroxy-, calcium salt (1:1)
RN: 68025-61-6
InChIKey: PIQFFHBHQFVQLL-ANVLNOONSA-L

Molecular Formula

  • C18-H13-Cl-N2-O6-S.Ca

Molecular Weight

  • 458.89
 
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Names and Synonyms

Synonyms

  • 2-Naphthalenecarboxylic acid, 4-((4-chloro-3-methyl-2-sulfophenyl)azo)-3-hydroxy-, calcium salt (1:1)
  • 4-((4-Chloro-3-methyl-2-sulfophenyl)azo)-3-hydroxy-2-naphthalenecarboxylic acid, calcium salt (1:1)
  • EINECS 268-202-3

Systematic Names

  • 2-Naphthalenecarboxylic acid, 4-((4-chloro-3-methyl-2-sulfophenyl)azo)-3-hydroxy-, calcium salt (1:1)
  • 2-Naphthalenecarboxylic acid, 4-(2-(4-chloro-3-methyl-2-sulfophenyl)diazenyl)-3-hydroxy-, calcium salt (1:1)
  • Calcium 4-((4-chloro-3-methyl-2-sulphonatophenyl)azo)-3-hydroxy-2-naphthoate

Registry Numbers

CAS Registry Number

  • 68025-61-6

System Generated Number

  • 0068025616

Molecular Formulas

Molecular Formula

  • C18-H13-Cl-N2-O6-S.Ca

Molecular Formula Fragments

  • C18-H13-Cl-N2-O6-S
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/C18H13ClN2O6S.Ca/c1-9-13(19)6-7-14(17(9)28(25,26)27)20-21-15-11-5-3-2-4-10(11)8-12(16(15)22)18(23)24;/h2-8,22H,1H3,(H,23,24)(H,25,26,27);/q;+2/p-2/b21-20+;

InChIKey

PIQFFHBHQFVQLL-ANVLNOONSA-L

Smiles

c12c(\N=N\c3c(S(=O)(=O)[O-])c(C)c(Cl)cc3)c(O)c(C(=O)[O-])cc1cccc2.[Ca+2]