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IUPAC name:
Pyridinium, 1,1'-[(6,13-dichloro-4,11-disulfo-3,10-triphenodioxazinediyl)bis[imino-2,1-ethanediylimino[6-[(2,5-disulfophenyl)amino]-1,3,5-triazine-4,2-diyl]]]bis[3-carboxy-, dihydroxide, bis(inner salt), hexasodium salt

Inventory

EC number:
279-256-2
EC name:
Pyridinium, 1,1'-[(6,13-dichloro-4,11-disulfo-3,10-triphenodioxazinediyl)bis[imino-2,1-ethanediylimino[6-[(2,5-disulfophenyl)amino]-1,3,5-triazine-4,2-diyl]]]bis[3-carboxy-, dihydroxide, bis(inner salt), hexasodium salt
CAS number:
79771-28-1
CAS number:
79771-28-1
Synonyms
Names:
Identifier:
IUPAC name
Pyridinium, 1,1'-[(6,13-dichloro-4,11-disulfo-3,10 -triphenodioxazinediyl)bis[imino-2,1-ethanediylimino [6-[(2,5-disulfophenyl)amino] -1,3,5-triazine-4,2-diyl]]] bis[3-carboxy-, dihydroxide, bis(inner salt), hexasodium salt
Identifier:
IUPAC name
Pyridinium, 1,1'-[(6,13-dichloro-4,11-disulfo-3,10-triphenodioxazinediyl)bis[imino-2,1-ethanediylimino[6-[(2,5-disulfophenyl)amino]-1,3,5-triazine-4,2-diyl]]]bis[3-carboxy-, dihydroxide, bis(inner salt), hexasodium salt
Identifier:
other: SMILES notation
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]C(=O)C1=C[N+](=CC=C1)C1=NC(NC2=C(C=CC(=C2)S([O-])(=O)=O)S([O-])(=O)=O)=NC(NCCNC2=CC=C3N=C4C(Cl)=C5OC6=C(C=CC(NCCNC7=NC(=NC(NC8=CC(=CC=C8S([O-])(=O)=O)S([O-])(=O)=O)=N7)[N+]7=CC(=CC=C7)C([O-])=O)=C6S([O-])(=O)=O)N=C5C(Cl)=C4OC3=C2S([O-])(=O)=O)=N1
Pyridinium, 1,1'-[(6,13-dichloro-4,11-disulfo-3,10-triphenodioxazinediyl)bis[imino-2,1-ethanediylimino[6-[(2,5-disulfophenyl)amino]-1,3,5-triazine-4,2-diyl]]]bis[3-carboxy-, dihydroxide, bis(inner salt), hexasodium salt

Molecular and structural information

Molecular formula:
C52H38Cl2N16O24S6.6Na
Molecular weight:
1 666.12
SMILES notation:
c1cc2c(c(S([O-])(=O)=O)c1NCCNc1nc(nc(n1)[n+]1cccc(c1)C([O-])=O)Nc1cc(S([O-])(=O)=O)ccc1S([O-])(=O)=O)Oc1c(c3=Nc4c(Oc3c(c1=N2)Cl)c(S([O-])(=O)=O)c(NCCNc1nc(Nc2cc(ccc2S([O-])(=O)=O)S([O-])(=O)=O)nc(n1)[n+]1cccc(c1)C([O-])=O)cc4)Cl.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChl:
1S/C52H38Cl2N16O24S6.6Na/c53-35-38-42(94-40-28(60-38)8-10-30(44(40)100(90,91)92)56-14-16-58-48-64-50(68-52(66-48)70-18-2-4-24(22-70)46(73)74)62-32-20-26(96(78,79)80)6-12-34(32)98(84,85)86)36(54)37-41(35)93-39-27(59-37)7-9-29(43(39)99(87,88)89)55-13-15-57-47-63-49(67-51(65-47)69-17-1-3-23(21-69)45(71)72)61-31-19-25(95(75,76)77)5-11-33(31)97(81,82)83;;;;;;/h1-12,17-22H,13-16H2,(H12-2,55,56,57,58,59,60,61,62,63,64,65,66,67,68,71,72,73,74,75,76,77,78,79,80,81,82,83,84,85,86,87,88,89,90,91,92);;;;;;/q;6*+1/p-6
Structural formula:
Chemical structure

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