Registration Dossier
Registration Dossier
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EC number: 261-693-5 | CAS number: 59312-61-7
Reference substances
- IUPAC name:
- 3-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)diazenyl]phenyl benzenesulfonate
Inventory
- EC number:
- 261-693-5
- EC name:
- 1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxo-5-[[3-[(phenylsulphonyl)oxy]phenyl]azo]nicotinonitrile
- CAS number:
- 59312-61-7
- CAS number:
- 59312-61-7
Synonyms
- Names:
- 3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-1,4- dimethyl-2-oxo-5-[[3-[(phenylsulfonyl)oxy]phenyl ]azo]-
- 3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxo-5-[[3-[(phenylsulfonyl)oxy]phenyl]azo]-
- Identifier:
- IUPAC name
- 1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxo-5-[[3-[(phenylsulphonyl)oxy]phenyl]azo]nicotinonitrile
- Identifier:
- IUPAC name
- [3-[2-(5-cyano-1,4-dimethyl-2,6-dioxopyridin-3-ylidene)hydrazinyl]phenyl] benzenesulfonate
- Identifier:
- other: Molecular formula
- C20-H16-N4-O5-S
- Identifier:
- other: SMILES notation
- CC1=C(C(=O)N(C(=O)C1=NNC2=CC(=CC=C2)OS(=O)(=O)C3=CC=CC=C3)C)C#N
- Identifier:
- other: SMILES notation
- CN1C(=C(\N=N\c2cccc(OS(=O)(=O)c3ccccc3)c2)C(=C(C#N)C1=O)C)O
Molecular and structural information
- Molecular formula:
- C20H16N4O5S
- Molecular weight:
- 424.43
- SMILES notation:
- O=C3C(/C#N)=C(/C)\C(\N=Nc2cccc(OS(=O)(=O)c1ccccc1)c2)=C(\O)N3C
- InChl:
- InChI=1/C20H16N4O5S/c1-13-17(12-21)19(25)24(2)20(26)18(13)23-22-14-7-6-8-15(11-14)29-30(27,28)16-9-4-3-5-10-16/h3-11,26H,1-2H3
- Structural formula:
Related substances
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