4-methyl-2,6-bis[[2-(sulfooxy)ethyl]amino]-5-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-3-Pyridinecarbonitrile sodium salt (1:1)
[CAS# 94158-85-7]

Identification

• Name: 4-methyl-2,6-bis[[2-(sulfooxy)ethyl]amino]-5-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-3-Pyridinecarbonitrile sodium salt (1:1)
• Synonyms: 4-methyl-2,6-bis[[2-(sulphooxy)ethyl]amino]-5-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]nicotinonitrile, sodium salt
• Molecular Formula: C₁₉H₂₄N₆NaO₁₄S₄
• Molecular Weight: 711.67
• CAS Registry Number: 94158-85-7
• EINECS: 303-159-7
• SMILES: [Na+].OS(=O)(=O)OCCS(=O)(=O)c1ccc(cc1)N=Nc2c(C)c(C#N)c(NCCOS(O)(=O)=O)nc2NCCOS(O)(=O)=O
• InChI: 1S/C19H24N6O14S4.Na/c1-13-16(12-20)18(21-6-8-37-41(28,29)30)23-19(22-7-9-38-42(31,32)33)17(13)25-24-14-2-4-15(5-3-14)40(26,27)11-10-39-43(34,35)36;/h2-5H,6-11H2,1H3,(H2,21,22,23)(H,28,29,30)(H,31,32,33)(H,34,35,36);/q;+1
• InChIKey: QGAARQJCGSHJDQ-UHFFFAOYSA-N