C.I. Acid Blue 1

CAS Registry Number®

116-95-0

CAS Name

C.I. Acid Blue 1

Molecular Formula

C27H32N2O6S2

Cite this Page

C.I. Acid Blue 1.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=116-95-0 (retrieved 2024-11-23) (CAS RN: 116-95-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H32N2O6S2/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=IKHKJYWPWWBSFZ-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

Canonical SMILES

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
  • C.I. Acid Blue 1
  • Ethanaminium, N-[4-[[4-(diethylamino)phenyl](2,4-disulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, hydroxide, inner salt

Deleted or Replaced CAS Registry Numbers

856565-99-6, 2130990-83-7

CAS INSIGHTSTM
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