Trisodium 5-[({6-[(2-chloroethyl)sulfonyl]bicyclo[2.2.1]hept-2-yl}carbonyl)amino]-4-hydroxy-3-[(1-sulfonato-2-naphthyl)diazenyl]-2,7-naphthalenedisulfonate
[CAS# 85895-84-7]

Identification

• Name: Trisodium 5-[({6-[(2-chloroethyl)sulfonyl]bicyclo[2.2.1]hept-2-yl}carbonyl)amino]-4-hydroxy-3-[(1-sulfonato-2-naphthyl)diazenyl]-2,7-naphthalenedisulfonate
• Synonyms: trisodium 5-[[[6-[(2-chloroethyl)sulphonyl]bicyclo[2.2.1]hept-2-yl]carbonyl]amino]-4-hydroxy-3-[(1-sulphonato-2-naphthyl)azo]naphthalene-2,7-disulphonate
• Molecular Formula: C₃₀H₂₅ClN₃Na₃O₁₃S₄
• Molecular Weight: 868.21
• CAS Registry Number: 85895-84-7
• EINECS: 288-759-6
• SMILES: [Na+].[Na+].[Na+].O=S(=O)(CCCl)C2CC1CC(C2C1)C(=O)Nc6cc(cc5cc(c(N=Nc4ccc3ccccc3c4S([O-])(=O)=O)c(O)c56)S([O-])(=O)=O)S([O-])(=O)=O
• InChI: 1S/C30H28ClN3O13S4.3Na/c31-7-8-48(37,38)24-11-15-9-20(24)21(10-15)30(36)32-23-14-18(49(39,40)41)12-17-13-25(50(42,43)44)27(28(35)26(17)23)34-33-22-6-5-16-3-1-2-4-19(16)29(22)51(45,46)47;;;/h1-6,12-15,20-21,24,35H,7-11H2,(H,32,36)(H,39,40,41)(H,42,43,44)(H,45,46,47);;;/q;3*+1/p-3
• InChIKey: AZIQXBPCSNEHHL-UHFFFAOYSA-K