Tetrasodium 4-amino-6-[(2,5-disulfonatophenyl)diazenyl]-3-{[2-(ethylsulfonyl)-1,3-benzothiazol-6-yl]diazenyl}-5-hydroxy-2,7-naphthalenedisulfonate
[CAS# 72828-71-8]

Identification

• Name: Tetrasodium 4-amino-6-[(2,5-disulfonatophenyl)diazenyl]-3-{[2-(ethylsulfonyl)-1,3-benzothiazol-6-yl]diazenyl}-5-hydroxy-2,7-naphthalenedisulfonate
• Synonyms: 2,7-Naphthalenedisulfonic acid, 4-amino-6-[(2,5-disulfophenyl)azo]-3-[[2-(ethylsulfonyl)-6-benzothiazolyl]azo]-5-hydroxy-, tetrasodium salt
• Molecular Formula: C₂₅H₁₆N₆Na₄O₁₅S₆
• Molecular Weight: 924.77
• CAS Registry Number: 72828-71-8
• SMILES: CCS(=O)(=O)c1nc2ccc(cc2s1)N=Nc3c(cc4cc(c(c(c4c3N)O)N=Nc5cc(ccc5S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C25H20N6O15S6.4Na/c1-2-48(33,34)25-27-14-5-3-12(9-16(14)47-25)28-30-22-18(51(41,42)43)7-11-8-19(52(44,45)46)23(24(32)20(11)21(22)26)31-29-15-10-13(49(35,36)37)4-6-17(15)50(38,39)40;;;;/h3-10,32H,2,26H2,1H3,(H,35,36,37)(H,38,39,40)(H,41,42,43)(H,44,45,46);;;;/q;4*+1/p-4
• InChIKey: MKYVFPDEQLMUJQ-UHFFFAOYSA-J