Registration Dossier
Registration Dossier
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EC number: 276-701-2 | CAS number: 72496-88-9
Reference substances
- IUPAC name:
- monosodium bis[2-((E)-((Z)-3-oxido-1-oxo-1-(phenylamino)but-2-en-2-yl)diazenyl)-4-sulfamoylphenolate (2-)] cobaltate (1-)
Inventory
- EC number:
- 276-701-2
- EC name:
- Sodium bis[2-[[5-(aminosulphonyl)-2-hydroxyphenyl]azo]-3-oxo-N-phenylbutyramidato(2-)]cobaltate(1-)
- CAS number:
- 72496-88-9
- CAS number:
- 72496-88-9
Synonyms
- Names:
- Identifier:
- IUPAC name
- Sodium bis[2-[[5-(aminosulphonyl)-2-hydroxyphenyl]azo]-3-oxo-N-phenylbutyramidato(2-)]cobaltate(1-)
- Identifier:
- IUPAC name
- monosodium bis[2-((E)-((Z)-3-oxido-1-oxo-1-(phenylamino)but-2-en-2-yl)diazenyl)-4-sulfamoylphenolate (2-)] cobaltate (1-)
- Identifier:
- Colour Index
- Acid Yellow 128Acid Yellow 151
- Identifier:
- other: Molecular formula
- C32 H28 Co N8 O10 S2 . Na
- Identifier:
- other: Molecular formula
- C32H28CoN8O10S2.Na
- Identifier:
- other: Molecular formula
- C32H28N8O10S2NaCo
- Identifier:
- other: InChl
- InChI=1S/2C16H16N4O5S.Co.Na/c2*1-10(21)15(16(23)18-11-5-3-2-4-6-11)20-19-13-9-12(26(17,24)25)7-8-14(13)22;;/h2*2-9,21-22H,1H3,(H,18,23)(H2,17,24,25);;/q;;+3;+1/p-4/b2*15-10-,20-19+;;
- Identifier:
- other: SMILES notation
- O=C(C(/N=N/C1=CC(S(=O)(N)=O)=CC=C1O2)=C(C)/O[Co-]32OC4=CC=C(S(=O)(N)=O)C=C4/N=N/C(C(NC5=CC=CC=C5)=O)=C(C)\O3)NC6=CC=CC=C6
- Identifier:
- other: SMILES notation
- [Na+].C\C([O-])=C(\N=N\C1=C(O[Co]2OC3=C(C=C(C=C3)S(N)(=O)=O)\N=N\C(\C(=O)NC3=CC=CC=C3)=C(C)/O2)C=CC(=C1)S(N)(=O)=O)/C(=O)NC1=CC=CC=C1
Molecular and structural information
- Molecular formula:
- C32H28CoN8NaO10S2
- Molecular weight:
- ca. 830.6
- SMILES notation:
- [Na+].[O-]/C(Nc1ccccc1)=C(\N=N\c5cc(ccc5O[Co]2Oc4ccc(cc4N=NC(=C(C)O2)C(=O)Nc3ccccc3)S(N)(=O)=O)S(N)(=O)=O)C(C)=O
- InChl:
- InChI=1/2C16H16N4O5S.Co.Na/c2*1-10(21)15(16(23)18-11-5-3-2-4-6-11)20-19-13-9-12(26(17,24)25)7-8-14(13)22;;/h2-9,21-22H,1H3,(H,18,23)(H2,17,24,25);2-9,18,22-23H,1H3,(H2,17,24,25);;/q;;+3;+1/p-4/b15-10-,20-19-;16-15-,20-19+;;
- Structural formula:
Related substances
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