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Reference substances

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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
[3-[2-(5-cyano-1,4-dimethyl-2,6-dioxopyridin-3-ylidene)hydrazinyl]phenyl] benzenesulfonate
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

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:
Chemical structure

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