C.I. Food Brown 3

CAS Registry Number®

4553-89-3

CAS Name

C.I. Food Brown 3

Molecular Formula

C27H20N4O9S2.2Na

Cite this Page

C.I. Food Brown 3.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4553-89-3 (retrieved 2024-11-22) (CAS RN: 4553-89-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H20N4O9S2.2Na/c32-14-15-13-22(30-28-20-9-11-23(41(35,36)37)18-7-3-1-5-16(18)20)27(34)25(26(15)33)31-29-21-10-12-24(42(38,39)40)19-8-4-2-6-17(19)21;;/h1-13,32-34H,14H2,(H,35,36,37)(H,38,39,40);;

InChIKey

InChIKey=NMQPBGBNMRHZDU-UHFFFAOYSA-N

SMILES

S(=O)(=O)(O)C=1C2=C(C(N=NC3=C(O)C(N=NC=4C5=C(C(S(=O)(=O)O)=CC4)C=CC=C5)=CC(CO)=C3O)=CC1)C=CC=C2.[Na]

Canonical SMILES

[Na].O=S(=O)(O)C1=CC=C(N=NC=2C=C(C(O)=C(N=NC3=CC=C(C=4C=CC=CC34)S(=O)(=O)O)C2O)CO)C=5C=CC=CC51

Other Names for this Substance

  • 1-Naphthalenesulfonic acid, 4,4′-[[2,4-dihydroxy-5-(hydroxymethyl)-1,3-phenylene]bis(2,1-diazenediyl)]bis-, sodium salt (1:2)
  • C.I. Food Brown 3, disodium salt
  • C.I. Food Brown 3
  • 1-Naphthalenesulfonic acid, 4,4′-[[2,4-dihydroxy-5-(hydroxymethyl)-1,3-phenylene]bis(azo)]bis-, disodium salt
  • 1538 Brown

View All

Deleted or Replaced CAS Registry Numbers

13913-76-3, 84593-15-7

CAS INSIGHTSTM
Hourglass and a clock