Disodium 2-{4-[(4-{[1-ethyl-2-hydroxy-4-methyl-6-oxo-5-(sulfonatomethyl)-1,6-dihydro-3-pyridinyl]diazenyl}benzoyl)amino]phenyl}-6-methyl-1,3-benzothiazole-7-sulfonate
[CAS# 85896-04-4]

Identification

• Name: Disodium 2-{4-[(4-{[1-ethyl-2-hydroxy-4-methyl-6-oxo-5-(sulfonatomethyl)-1,6-dihydro-3-pyridinyl]diazenyl}benzoyl)amino]phenyl}-6-methyl-1,3-benzothiazole-7-sulfonate
• Synonyms: disodium 2-[4-[[4-[[1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-5-(sulphonatomethyl)-3-pyridyl]azo]benzoyl]amino]phenyl]-6-methylbenzothiazole-7-sulphonate
• Molecular Formula: C₃₀H₂₅N₅Na₂O₉S₃
• Molecular Weight: 741.72
• CAS Registry Number: 85896-04-4
• EINECS: 288-781-6
• SMILES: [Na+].[Na+].[O-]S(=O)(=O)C/C5=C(\C)/C(/N=Nc1ccc(cc1)C(=O)Nc2ccc(cc2)c3nc4ccc(C)c(c4s3)S([O-])(=O)=O)=C(/O)N(CC)C5=O
• InChI: 1S/C30H27N5O9S3.2Na/c1-4-35-29(37)22(15-46(39,40)41)17(3)24(30(35)38)34-33-21-12-6-18(7-13-21)27(36)31-20-10-8-19(9-11-20)28-32-23-14-5-16(2)26(25(23)45-28)47(42,43)44;;/h5-14,38H,4,15H2,1-3H3,(H,31,36)(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2
• InChIKey: ANCXEFHFJOBSOB-UHFFFAOYSA-L