Disodium 7-[({6-[(2-chloroethyl)sulfonyl]bicyclo[2.2.1]hept-2-yl}carbonyl)amino]-4-hydroxy-3-[(4-methyl-2-sulfonatophenyl)diazenyl]-2-naphthalenesulfonate
[CAS# 93803-33-9]

Identification

• Name: Disodium 7-[({6-[(2-chloroethyl)sulfonyl]bicyclo[2.2.1]hept-2-yl}carbonyl)amino]-4-hydroxy-3-[(4-methyl-2-sulfonatophenyl)diazenyl]-2-naphthalenesulfonate
• Synonyms: disodium 7-[[[6-[(2-chloroethyl)sulphonyl]bicyclo[2.2.1]hept-2-yl]carbonyl]amino]-4-hydroxy-3-[(4-methyl-2-sulphonatophenyl)azo]naphthalene-2-sulphonate
• Molecular Formula: C₂₇H₂₆ClN₃Na₂O₁₀S₃
• Molecular Weight: 730.14
• CAS Registry Number: 93803-33-9
• EINECS: 298-303-8
• SMILES: [Na+].[Na+].O=S(=O)(CCCl)C2CC1CC(C2C1)C(=O)Nc4cc5cc(c(N=Nc3ccc(C)cc3S([O-])(=O)=O)c(O)c5cc4)S([O-])(=O)=O
• InChI: 1S/C27H28ClN3O10S3.2Na/c1-14-2-5-21(23(8-14)43(36,37)38)30-31-25-24(44(39,40)41)13-16-12-17(3-4-18(16)26(25)32)29-27(33)20-10-15-9-19(20)22(11-15)42(34,35)7-6-28;;/h2-5,8,12-13,15,19-20,22,32H,6-7,9-11H2,1H3,(H,29,33)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2
• InChIKey: SPISUZQTXUPMAE-UHFFFAOYSA-L