Acid Blue 1
CAS Registry Number®
129-17-9
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CAS Name
Acid Blue 1Molecular Formula
C27H32N2O6S2.NaCite this Page
Acid Blue 1. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=129-17-9 (retrieved ) (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
Deleted or Replaced CAS Registry Numbers
64366-33-2, 66554-69-6, 81604-53-7, 220750-19-6, 856315-34-9
