Registration Dossier

General information

Inventory

EC number:
429-750-0
EC name:
-
CAS number:
-
Description:
NEO HELIOPAN AP

No inventory information available

Reference substance information

IUPAC name:
disodium dihydrogen 2-[4-(5,7-disulfo-1H-1,3-benzodiazol-2-yl)phenyl]-1H-1,3-benzodiazole-5,7-disulfonate
Synonyms
Names:
Bisdisulizole disodium
Neo Heliopan AP
Identifier:
IUPAC name
1H-Benzimidazole-4,6-disulfonic acid, 2,2'-(1,4-phenylene)bis-, disodium salt
Identifier:
other: InChl
1S/C20H14N4O12S4.2Na/c25-37(26,27)11-5-13-17(15(7-11)39(31,32)33)23-19(21-13)9-1-2-10(4-3-9)20-22-14-6-12(38(28,29)30)8-16(18(14)24-20)40(34,35)36;;/h1-8H,(H,21,23)(H,22,24)(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36);;/q;2*+1
Identifier:
other: Molecular formula
C20 H12 N4 Na2 O12 S4
Identifier:
other: SMILES notation
c15c(cc(cc5nc(n1)c2ccc(cc2)c4nc3c(cc(cc3n4)S([O-])(=O)=O)S([O-])(=O)=O)S(O)(=O)=O)S(O)(=O)=O.[Na+].[Na+]
Disodium 2,2'-(1,4-Phenylene)bis-(1H-benzimidazole-4,6-disulfonic acid or monosulfonic acid, monosulfonate or disulfonate

CAS information

CAS number:
180898-37-7

Molecular and structural information

Molecular formula:
C20H12N4O12S4.2Na
Molecular weight:
ca. 674.57
SMILES notation:
[Na+].[Na+].[O-]S(=O)(=O)c1cc2nc(nc2c(c1)S([O-])(=O)=O)c3ccc(cc3)c4nc5cc(cc(c5n4)S(O)(=O)=O)S(O)(=O)=O
InChl:
InChI=1S/C20H14N4O12S4.2Na/c25-37(26,27)11-5-13-17(15(7-11)39(31,32)33)23-19(21-13)9-1-2-10(4-3-9)20-22-14-6-12(38(28,29)
Structural formula:
Chemical structure