Evan's Blue

CAS Registry Number®

314-13-6
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CAS Name

Evan's Blue

Molecular Formula

C34H28N6O14S4.4Na

Cite this Page

Evan's Blue.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=314-13-6 (retrieved 2021-10-19) (CAS RN: 314-13-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C34H28N6O14S4.4Na/c1-15-11-17(3-7-21(15)37-39-23-9-5-19-25(55(43,44)45)13-27(57(49,50)51)31(35)29(19)33(23)41)18-4-8-22(16(2)12-18)38-40-24-10-6-20-26(56(46,47)48)14-28(58(52,53)54)32(36)30(20)34(24)42;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;

InChIKey

InChIKey=WWWSEHAFEUPVKD-UHFFFAOYSA-N

SMILES

NC=1C2=C(C(S(=O)(=O)O)=CC1S(=O)(=O)O)C=CC(N=NC3=C(C)C=C(C=C3)C4=CC(C)=C(N=NC5=C(O)C6=C(C=C5)C(S(=O)(=O)O)=CC(S(=O)(=O)O)=C6N)C=C4)=C2O.[Na]

Canonical SMILES

[Na].O=S(=O)(O)C1=CC(=C2C=CC(N=NC3=CC=C(C=C3C)C4=CC=C(N=NC=5C=CC=6C(C5O)=C(N)C(=CC6S(=O)(=O)O)S(=O)(=O)O)C(=C4)C)=C(O)C2=C1N)S(=O)(=O)O

Other Names for this Substance

  • 1,3-Naphthalenedisulfonic acid, 6,6′-[(3,3′-dimethyl[1,1′-biphenyl]-4,4′-diyl)bis(2,1-diazenediyl)]bis[4-amino-5-hydroxy-, sodium salt (1:4)
  • Azovan Blue
  • C.I. Direct Blue 53, tetrasodium salt
  • 1,3-Naphthalenedisulfonic acid, 6,6′-[(3,3′-dimethyl[1,1′-biphenyl]-4,4′-diyl)bis(azo)]bis[4-amino-5-hydroxy-, tetrasodium salt
  • T 1824

Deleted or Replaced CAS Registry Numbers

179472-53-8