CAS Registry Number®
6505-30-2
CAS Name
Benzenemethanaminium, N-[4-[[4-(diethylamino)phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]-2-methylphenyl]methylene]-3-methyl-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-, inner salt, sodium salt (1:1)
Molecular Formula
C43H49N3O6S2.Na
Other Names and Identifiers
InChI
InChI=1S/C43H49N3O6S2.Na/c1-7-44(8-2)36-19-17-35(18-20-36)43(41-23-21-37(25-31(41)5)45(9-3)29-33-13-11-15-39(27-33)53(47,48)49)42-24-22-38(26-32(42)6)46(10-4)30-34-14-12-16-40(28-34)54(50,51)52;/h11-28H,7-10,29-30H2,1-6H3,(H-,47,48,49,50,51,52);
InChIKey
InChIKey=CNJALSVEFVZIRV-UHFFFAOYSA-N
SMILES
C(C1=C(C)C=C(N(CC2=CC(S(=O)(=O)O)=CC=C2)CC)C=C1)(=C3C(C)=CC(=[N+](CC4=CC(S(=O)(=O)[O-])=CC=C4)CC)C=C3)C5=CC=C(N(CC)CC)C=C5.[Na]
Canonical SMILES
[Na].O=S(=O)([O-])C=1C=CC=C(C1)C[N+](=C2C=CC(C(=C2)C)=C(C3=CC=C(C=C3)N(CC)CC)C4=CC=C(C=C4C)N(CC5=CC=CC(=C5)S(=O)(=O)O)CC)CC
Other Names for this Substance
- Benzenemethanaminium, N-[4-[[4-(diethylamino)phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]-2-methylphenyl]methylene]-3-methyl-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-, inner salt, sodium salt (1:1)
- C.I. Acid Blue 104
- C.I. Acid Blue 104, sodium salt
- Benzenemethanaminium, N-[4-[[4-(diethylamino)phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]-2-methylphenyl]methylene]-3-methyl-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-, hydroxide, inner salt, sodium salt
- Benzenemethanaminium, N-[4-[[4-(diethylamino)phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]-2-methylphenyl]methylene]-3-methyl-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-, inner salt, sodium salt
- C.I. 42735
- Acid Blue FFR
- Acid Brilliant Blue FFR
- Acidine Brilliant Blue DR Extra
- Acid Pure Blue BRD
- Acilan Brilliant Blue FFR
- Benzyl Blue FR
- Brilliant Acid Blue BR
- Brilliant Wool Blue FFRS
- Calcocid Brilliant Blue FFR
- Fenazo Blue XXR
- Pontacyl Brilliant Blue RR
- Shimazaki Brilliant Wool Blue FFR
- Xylene Brilliant Blue FBR
- Xylene Brilliant FFR
- Brilliant Wool Blue FFR
- Acid Blue 104
- Brilliant Blue R 28032
- Special Brilliant Blue
- Sumitomo Brilliant Blue Pl
- Acid Blue FFS
Deleted or Replaced CAS Registry Numbers
178966-14-8
