Acid Blue 3

CAS Registry Number®

3536-49-0

CAS Name

Acid Blue 3

Molecular Formula

C27H32N2O7S2.1/2Ca

Cite this Page

Acid Blue 3.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3536-49-0 (retrieved 2024-11-24) (CAS RN: 3536-49-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H32N2O7S2.Ca/c1-5-28(6-2)21-13-9-19(10-14-21)27(20-11-15-22(16-12-20)29(7-3)8-4)23-17-24(30)26(38(34,35)36)18-25(23)37(31,32)33;/h9-18H,5-8H2,1-4H3,(H2-,30,31,32,33,34,35,36);

InChIKey

InChIKey=KJRBDMBNCBFVAS-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

[Ca].O=S(=O)([O-])C1=CC(=C(O)C=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](5-hydroxy-2,4-disulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, inner salt, calcium salt (2:1)
  • C.I. Acid Blue 3
  • C.I. Acid Blue 3, calcium salt (2:1)
  • Ethanaminium, N-[4-[[4-(diethylamino)phenyl](5-hydroxy-2,4-disulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, hydroxide, inner salt, calcium salt (2:1)
  • Patent Blue V

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Deleted or Replaced CAS Registry Numbers

50934-74-2

CAS INSIGHTSTM
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