Registration Dossier
Registration Dossier
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EC number: 429-750-0 | CAS number: 180898-37-7
Reference substances
- IUPAC name:
- disodium dihydrogen 2-[4-(5,7-disulfonato-1H-1,3-benzodiazol-2-yl)phenyl]-1H-1,3-benzodiazole-5,7-disulfonate
Inventory
- EC number:
- 429-750-0
- EC name:
- -
- CAS number:
- -
- Description:
- NEO HELIOPAN AP
- CAS number:
- 180898-37-7
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
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:
Related substances
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