C.I. Food Blue 2

CAS Registry Number®

3844-45-9

CAS Name

C.I. Food Blue 2

Molecular Formula

C37H36N2O9S3.2Na

Cite this Page

C.I. Food Blue 2.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3844-45-9 (retrieved 2024-11-24) (CAS RN: 3844-45-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C37H36N2O9S3.2Na/c1-3-38(25-27-9-7-11-33(23-27)49(40,41)42)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)51(46,47)48)30-17-21-32(22-18-30)39(4-2)26-28-10-8-12-34(24-28)50(43,44)45;;/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48);;

InChIKey

InChIKey=XGJOULBUZNWIAW-UHFFFAOYSA-N

SMILES

C(C1=C(S(=O)(=O)O)C=CC=C1)(C2=CC=C(N(CC3=CC(S(=O)(=O)O)=CC=C3)CC)C=C2)=C4C=CC(=[N+](CC5=CC(S(=O)(=O)[O-])=CC=C5)CC)C=C4.[Na]

Canonical SMILES

[Na].O=S(=O)([O-])C=1C=CC=C(C1)C[N+](=C2C=CC(C=C2)=C(C3=CC=C(C=C3)N(CC4=CC=CC(=C4)S(=O)(=O)O)CC)C=5C=CC=CC5S(=O)(=O)O)CC

Other Names for this Substance

  • Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, sodium salt (1:2)
  • C.I. Acid Blue 9, disodium salt
  • Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, hydroxide, inner salt, disodium salt
  • Brilliant Blue FCF
  • Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, disodium salt

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Deleted or Replaced CAS Registry Numbers

70992-30-2, 73319-02-5, 82526-32-7, 83155-13-9, 145087-80-5, 511534-53-5, 1314116-65-8, 1848225-75-1

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