Nombre del analito

Reactive Red 198

Número CAS

145017-98-7

Fórmula molecular

C27 H18 Cl N7 O16 S5 . 4 Na

Peso molecular

984.206

Masa exacta

982.869

SMILES

[Na+].[Na+].[Na+].[Na+].Oc1c(N=Nc2ccc(cc2)S(=O)(=O)CCOS(=O)(=O)[O-])c(cc3cc(cc(Nc4nc(Cl)nc(Nc5cccc(c5)S(=O)(=O)[O-])n4)c13)S(=O)(=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C27H22ClN7O16S5.4Na/c28-25-31-26(29-16-2-1-3-18(12-16)53(39,40)41)33-27(32-25)30-20-13-19(54(42,43)44)10-14-11-21(55(45,46)47)23(24(36)22(14)20)35-34-15-4-6-17(7-5-15)52(37,38)9-8-51-56(48,49)50;;;;/h1-7,10-13,36H,8-9H2,(H,39,40,41)(H,42,43,44)(H

IUPAC

tetrasodium;5-[[4-chloro-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(E)-[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonate

País de origen

CANADA

Formato del producto

Neat