2-[[8-[[4-[Bis[2-[(2-Chloroethyl)Sulphonyl]Ethyl]Amino]-6-Chloro-1,3,5-Triazin-2-Yl]Amino]-1-Hydroxy-3,6-Disulpho-2-Naphthyl]Azo]Naphthalene-1,5-Disulphonic Acid
[CAS# 65180-62-3]

Identification

• Name: 2-[[8-[[4-[Bis[2-[(2-Chloroethyl)Sulphonyl]Ethyl]Amino]-6-Chloro-1,3,5-Triazin-2-Yl]Amino]-1-Hydroxy-3,6-Disulpho-2-Naphthyl]Azo]Naphthalene-1,5-Disulphonic Acid
• Synonyms: (3Z)-5-[[4-[Bis[2-(2-Chloroethylsulfonyl)Ethyl]Amino]-6-Chloro-1,3,5-Triazin-2-Yl]Amino]-3-[(1,5-Disulfo-2-Naphthyl)Hydrazono]-4-Oxo-Naphthalene-2,7-Disulfonic Acid; (3Z)-5-[[4-[Bis[2-(2-Chloroethylsulfonyl)Ethyl]Amino]-6-Chloro-1,3,5-Triazin-2-Yl]Amino]-3-[(1,5-Disulfo-2-Naphthyl)Hydrazono]-4-Oxonaphthalene-2,7-Disulfonic Acid; (3Z)-5-[[4-[Bis[2-(2-Chloroethylsulfonyl)Ethyl]Amino]-6-Chloro-S-Triazin-2-Yl]Amino]-3-[(1,5-Disulfo-2-Naphthyl)Hydrazono]-4-Keto-Naphthalene-2,7-Disulfonic Acid
• Molecular Formula: C₃₁H₃₀Cl₃N₇O₁₇S₆
• Molecular Weight: 1071.33
• CAS Registry Number: 65180-62-3
• EINECS: 265-596-9
• SMILES: C2=C([S](O)(=O)=O)C=C(NC1=NC(=NC(=N1)Cl)N(CC[S](=O)(=O)CCCl)CC[S](=O)(=O)CCCl)C5=C2C=C([S](O)(=O)=O)C(=N/NC4=C([S](O)(=O)=O)C3=C(C(=CC=C3)[S](O)(=O)=O)C=C4)\C5=O
• InChI: 1S/C31H30Cl3N7O17S6/c32-6-10-59(43,44)12-8-41(9-13-60(45,46)11-7-33)31-37-29(34)36-30(38-31)35-22-16-18(61(47,48)49)14-17-15-24(63(53,54)55)26(27(42)25(17)22)40-39-21-5-4-19-20(28(21)64(56,57)58)2-1-3-23(19)62(50,51)52/h1-5,14-16,39H,6-13H2,(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,35,36,37,38)/b40-26+
• InChIKey: YWDHGJPABVEJHW-IHELAITMSA-N