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Substance Name: 2-Naphthalenecarboxylic acid, 3-hydroxy-4-(2-(4-methoxy-2-sulfophenyl)diazenyl)-, calcium salt (1:1)
RN: 125252-54-2
InChIKey: RCQVVJWJTZORCZ-RZLHGTIFSA-L

Classification Code

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C18-H14-N2-O7-S.Ca

Molecular Weight

  • 440.4438
 
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Names and Synonyms

  • 2-Naphthalenecarboxylic acid, 3-hydroxy-4-((4-methoxy-2-sulfophenyl)azo)-, calcium salt (1:1)
  • 2-Naphthalenecarboxylic acid, 3-hydroxy-4-(2-(4-methoxy-2-sulfophenyl)diazenyl)-, calcium salt (1:1)

Registry Numbers

CAS Registry Number

  • 125252-54-2

System Generated Number

  • 0125252542

Molecular Formulas

Molecular Formula

  • C18-H14-N2-O7-S.Ca

Molecular Formula Fragments

  • C18-H14-N2-O7-S
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/C18H14N2O7S.Ca/c1-27-11-6-7-14(15(9-11)28(24,25)26)19-20-16-12-5-3-2-4-10(12)8-13(17(16)21)18(22)23;/h2-9,21H,1H3,(H,22,23)(H,24,25,26);/q;+2/p-2/b20-19+;

InChIKey

RCQVVJWJTZORCZ-RZLHGTIFSA-L

Smiles

S(=O)(=O)(c1c(/N=N/c2c(c(cc3c2cccc3)C(=O)[O-])O)ccc(c1)OC)[O-].[Ca+2]