Registration Dossier
Registration Dossier
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EC number: 464-700-1 | CAS number: 607724-42-5
Reference substances
- IUPAC name:
- pentasodium 4-hydroxy-3-(2-{2-methoxy-4-[2-(sulfonatooxy)ethanesulfonyl]phenyl}diazen-1-yl)-8-(2-{2-sulfonato-4-[2-(sulfonatooxy)ethanesulfonyl]phenyl}diazen-1-yl)-7-[(sulfonatomethyl)amino]naphthalene-2-sulfonate
Inventory
- EC number:
- 464-700-1
- EC name:
- -
- CAS number:
- -
- CAS number:
- 607724-42-5
Synonyms
- Names:
- Identifier:
- IUPAC name
- Pentasodium 4-hydroxy-3-(2-methoxy-5-(2-sulfooxyethanesulfonyl)phenylazo)-7-(sulfomethylamino)-8-(2-sulfo-4-(2-sulfooxyethanesulfonyl)phenylazo)naphthalene-2-sulfonate
- Identifier:
- other: SMILES notation
- COC1=C(C=C(C=C1)[S](CCO[S]([O-])(=O)=O)(=O)=O)N=NC2=C(C=C3C(=C2[O-])C=CC(=C3N=NC4=C(C=C(C=C4)[S](CCO[S](O)(=O)=O)(=O)=O)[S]([O-])(=O)=O)NC[S]([O-])(=O)=O)[S]([O-])(=O)=O.[Na+].[Na+].[Na+].[Na+].[Na+]
- Identifier:
- other: Molecular formula
- Hill formula: C28 H24 N5 Na5 O23 S7 CAS formula: C28H29N5O23S7.5Na
- Pentasodium 4-hydroxy-3-(2-methoxy-5-(2-sulfooxyethanesulfonyl)phenylazo)-7-(sulfomethylamino)-8-(2-sulfo-4-(2-sulfooxyethanesulfonyl)phenylazo)naphthalene-2-sulfonate
Molecular and structural information
- Molecular formula:
- Hill formula: C28H24N5Na5O23S7
CAS formula: C28H29N5O23S7.5Na - Molecular weight:
- 1 137.9
- SMILES notation:
- COC1=C(C=C(C=C1)[S](CCO[S]([O-])(=O)=O)(=O)=O)N=NC2=C(C=C3C(=C2[O-])C=CC(=C3N=NC4=C(C=C(C=C4)[S](CCO[S](O)(=O)=O)(=O)=O)[S]([O-])(=O)=O)NC[S]([O-])(=O)=O)[S]([O-])(=O)=O.[Na+].[Na+].[Na+].[Na+].[Na+]
- InChl:
- InChI=1S/C28H29N5O23S7.5Na/c1-54-23-7-3-16(57(35,36)10-8-55-62(48,49)50)12-22(23)31-33-27-25(61(45,46)47)14-19-18(28(27)34)4-6-21(29-15-59(39,40)41)26(19)32-30-20-5-2-17(13-24(20)60(42,43)44)58(37,38)11-9-56-63(51,52)53;;;;;/h2-7,12-14,29,34H,8-11,15H2,1H3,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53);;;;;/q;5*+1/p-5/b32-30+,33-31+;;;;;
- Structural formula:
Related substances
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