Acid Blue 1

CAS Registry Number®

129-17-9

CAS Name

Acid Blue 1

Molecular Formula

C27H32N2O6S2.Na

Cite this Page

Acid Blue 1.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=129-17-9 (retrieved 2024-11-24) (CAS RN: 129-17-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H32N2O6S2.Na/c1-5-28(6-2)22-13-9-20(10-14-22)27(21-11-15-23(16-12-21)29(7-3)8-4)25-18-17-24(36(30,31)32)19-26(25)37(33,34)35;/h9-19H,5-8H2,1-4H3,(H-,30,31,32,33,34,35);

InChIKey

InChIKey=DFTBLCXPKYOFJZ-UHFFFAOYSA-N

SMILES

C(C1=C(S(=O)(=O)[O-])C=C(S(=O)(=O)O)C=C1)(C2=CC=C(N(CC)CC)C=C2)=C3C=CC(=[N+](CC)CC)C=C3.[Na]

Canonical SMILES

[Na].O=S(=O)([O-])C1=CC(=CC=C1C(C2=CC=C(C=C2)N(CC)CC)=C3C=CC(C=C3)=[N+](CC)CC)S(=O)(=O)O

Other Names for this Substance

  • Ethanaminium, N-[4-[[4-(diethylamino)phenyl](2,4-disulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, inner salt, sodium salt (1:1)
  • Xylene Blue VS
  • C.I. Acid Blue 1, sodium salt
  • Ethanaminium, N-[4-[[4-(diethylamino)phenyl](2,4-disulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, hydroxide, inner salt, sodium salt
  • [4-[α-[p-(Diethylamino)phenyl]-2,4-disulfobenzylidene]-2,5-cyclohexadien-1-ylidene]diethylammonium hydroxide, inner salt, sodium salt

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Deleted or Replaced CAS Registry Numbers

64366-33-2, 66554-69-6, 81604-53-7, 220750-19-6, 856315-34-9

CAS INSIGHTSTM
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