Acid Blue 113

CAS Registry Number®

3351-05-1

CAS Name

Acid Blue 113

Molecular Formula

C32H23N5O6S2.2Na

Cite this Page

Acid Blue 113.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3351-05-1 (retrieved 2024-11-25) (CAS RN: 3351-05-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C32H23N5O6S2.2Na/c38-44(39,40)23-11-6-10-22(20-23)34-35-27-16-17-28(25-13-5-4-12-24(25)27)36-37-29-18-19-30(33-21-8-2-1-3-9-21)32-26(29)14-7-15-31(32)45(41,42)43;;/h1-20,33H,(H,38,39,40)(H,41,42,43);;

InChIKey

InChIKey=YNJBUFOIFTVKCZ-UHFFFAOYSA-N

SMILES

N(C=1C2=C(C(N=NC=3C4=C(C(N=NC5=CC(S(=O)(=O)O)=CC=C5)=CC3)C=CC=C4)=CC1)C=CC=C2S(=O)(=O)O)C6=CC=CC=C6.[Na]

Canonical SMILES

[Na].O=S(=O)(O)C=1C=CC=C(N=NC2=CC=C(N=NC=3C=CC(NC=4C=CC=CC4)=C5C3C=CC=C5S(=O)(=O)O)C=6C=CC=CC26)C1

Other Names for this Substance

  • 1-Naphthalenesulfonic acid, 8-(phenylamino)-5-[2-[4-[2-(3-sulfophenyl)diazenyl]-1-naphthalenyl]diazenyl]-, sodium salt (1:2)
  • C.I. Acid Blue 113
  • C.I. Acid Blue 113, disodium salt
  • 1-Naphthalenesulfonic acid, 8-(phenylamino)-5-[[4-[(3-sulfophenyl)azo]-1-naphthalenyl]azo]-, disodium salt
  • C.I. 26360

View All

Deleted or Replaced CAS Registry Numbers

101708-55-8, 67512-10-1

CAS INSIGHTSTM
Hourglass and a clock