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Substance Name: 2-Naphthalenesulfonic acid, 3,7-bis(1,1-dimethylethyl)-, sodium salt
RN: 43064-33-1
InChIKey: MQJUTXAYGNUBKO-UHFFFAOYSA-M

Molecular Formula

  • C18-H23-O3-S.Na

Molecular Weight

  • 342.433
 
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Names and Synonyms

Synonyms

  • 3,7-Bis(1,1-dimethylethyl)-2-naphthalenesulfonic acid sodium salt
  • Nekalin

Systematic Name

  • 2-Naphthalenesulfonic acid, 3,7-bis(1,1-dimethylethyl)-, sodium salt

Registry Numbers

CAS Registry Number

  • 43064-33-1

System Generated Number

  • 0043064331

Molecular Formulas

Molecular Formula

  • C18-H23-O3-S.Na

Molecular Formula Fragments

  • C18-H23-O3-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C18H24O3S.Na/c1-17(2,3)14-8-7-12-10-15(18(4,5)6)16(22(19,20)21)11-13(12)9-14;/h7-11H,1-6H3,(H,19,20,21);/q;+1/p-1

InChIKey

MQJUTXAYGNUBKO-UHFFFAOYSA-M

Smiles

c1(c(cc2ccc(cc2c1)C(C)(C)C)C(C)(C)C)S(=O)(=O)[O-].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 3780mg/kg (3780mg/kg)   Bromatologia i Chemia Toksykologiczna. Vol. 6, Pg. 175, 1973.
rat LD50 oral 4243mg/kg (4243mg/kg)   Bromatologia i Chemia Toksykologiczna. Vol. 6, Pg. 175, 1973.