![Phenazinium, 3-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]amino]-7-[ethyl[(3-sulfophenyl)methyl]amino]-5-(4-sulfophenyl)-, inner salt, disodium salt](https://newcny.com/wp-content/uploads/2025/02/83949-27-3.svg)
CAS Registry Number®
83949-27-3
CAS Name
Phenazinium, 3-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]amino]-7-[ethyl[(3-sulfophenyl)methyl]amino]-5-(4-sulfophenyl)-, inner salt, sodium salt (1:2)
Molecular Formula
C36H28Cl2N8O9S3.2Na
Other Names and Identifiers
InChI
InChI=1S/C36H28Cl2N8O9S3.2Na/c1-2-45(20-21-4-3-5-27(16-21)57(50,51)52)25-10-15-29-32(19-25)46(24-8-11-26(12-9-24)56(47,48)49)31-17-22(6-13-28(31)41-29)39-30-14-7-23(18-33(30)58(53,54)55)40-36-43-34(37)42-35(38)44-36;;/h3-19H,2,20H2,1H3,(H4,40,41,42,43,44,47,48,49,50,51,52,53,54,55);;
InChIKey
InChIKey=IUHFOSIBABVYHY-UHFFFAOYSA-N
SMILES
N(CC1=CC(S(=O)(=O)O)=CC=C1)(CC)C2=CC=3[N+](=C4C(=NC3C=C2)C=CC(NC5=C(S(=O)(=O)O)C=C(NC=6N=C(Cl)N=C(Cl)N6)C=C5)=C4)C7=CC=C(S(=O)(=O)[O-])C=C7.[Na]
Canonical SMILES
[Na].O=S(=O)([O-])C=1C=CC(=CC1)[N+]=2C=3C=C(C=CC3N=C4C=CC(=CC42)N(CC5=CC=CC(=C5)S(=O)(=O)O)CC)NC6=CC=C(C=C6S(=O)(=O)O)NC=7N=C(Cl)N=C(Cl)N7
Other Names for this Substance
- Phenazinium, 3-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]amino]-7-[ethyl[(3-sulfophenyl)methyl]amino]-5-(4-sulfophenyl)-, inner salt, sodium salt (1:2)
- Phenazinium, 3-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]amino]-7-[ethyl[(3-sulfophenyl)methyl]amino]-5-(4-sulfophenyl)-, hydroxide, inner salt, disodium salt
- Phenazinium, 3-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]amino]-7-[ethyl[(3-sulfophenyl)methyl]amino]-5-(4-sulfophenyl)-, inner salt, disodium salt
