Methanaminium, N-[4-[[4-(dimethylamino)phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]-2-sulfophenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, inner salt, sodium salt (1:1)
CAS Registry Number®
5863-53-6
CAS Name
Methanaminium, N-[4-[[4-(dimethylamino)phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]-2-sulfophenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, inner salt, sodium salt (1:1)Molecular Formula
C32H35N3O6S2.NaCite this Page
Methanaminium, N-[4-[[4-(dimethylamino)phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]-2-sulfophenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, inner salt, sodium salt (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=5863-53-6 (retrieved ) (CAS RN: 5863-53-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C32H35N3O6S2.Na/c1-6-35(22-23-8-7-9-29(20-23)42(36,37)38)28-18-19-30(31(21-28)43(39,40)41)32(24-10-14-26(15-11-24)33(2)3)25-12-16-27(17-13-25)34(4)5;/h7-21H,6,22H2,1-5H3,(H-,36,37,38,39,40,41);
InChIKey
InChIKey=WWJDRDFPFYHFLY-UHFFFAOYSA-N
SMILES
C(C1=C(S(=O)(=O)[O-])C=C(N(CC2=CC(S(=O)(=O)O)=CC=C2)CC)C=C1)(C3=CC=C(N(C)C)C=C3)=C4C=CC(=[N+](C)C)C=C4.[Na]
Canonical SMILES
[Na].O=S(=O)([O-])C1=CC(=CC=C1C(C2=CC=C(C=C2)N(C)C)=C3C=CC(C=C3)=[N+](C)C)N(CC4=CC=CC(=C4)S(=O)(=O)O)CC
Other Names for this Substance
- Methanaminium, N-[4-[[4-(dimethylamino)phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]-2-sulfophenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, inner salt, sodium salt (1:1)
- C.I. Acid Blue 13, sodium salt
- C.I. Acid Blue 13
- Methanaminium, N-[4-[[4-(dimethylamino)phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]-2-sulfophenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, hydroxide, inner salt, sodium salt
- Methanaminium, N-[4-[[4-(dimethylamino)phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]-2-sulfophenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, inner salt, sodium salt
