CAS Registry Number®
72927-99-2
CAS Name
Reactive Blue 49
Molecular Formula
C32H26ClN7O11S3.3Na
Molecular Mass
885.21
Other Names and Identifiers
InChI
InChI=1S/C32H26ClN7O11S3.3Na/c1-13-25(36-20-12-21(53(46,47)48)24(34)23-22(20)27(41)18-9-4-5-10-19(18)28(23)42)14(2)29(54(49,50)51)15(3)26(13)37-32-39-30(33)38-31(40-32)35-16-7-6-8-17(11-16)52(43,44)45;;;/h4-12,36H,34H2,1-3H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H2,35,37,38,39,40);;;
InChIKey
InChIKey=SOVUKMAUMHJTPW-UHFFFAOYSA-N
Canonical SMILES
[Na].O=C1C=2C=CC=CC2C(=O)C3=C(N)C(=CC(NC4=C(C(NC=5N=C(Cl)N=C(N5)NC6=CC=CC(=C6)S(=O)(=O)O)=C(C(=C4C)S(=O)(=O)O)C)C)=C13)S(=O)(=O)O
Other Names for this Substance
- 2-Anthracenesulfonic acid, 1-amino-4-[[3-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, sodium salt (1:3)
- 2-Anthracenesulfonic acid, 1-amino-4-[[3-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, trisodium salt
- C.I. 621526
- Cibacron Brilliant Blue 3R-P
- C.I. Reactive Blue 49
Deleted or Replaced CAS Registry Numbers
12236-92-9
