3-Carboxylato-1-[2-Hydroxy-3-[4-[Hydroxy(Sodiosulfo)Methyl]-2-Methoxyphenoxy]Propyl]Pyridinium
[CAS# 68016-07-9]

Identification

• Name: 3-Carboxylato-1-[2-Hydroxy-3-[4-[Hydroxy(Sodiosulfo)Methyl]-2-Methoxyphenoxy]Propyl]Pyridinium
• Synonyms: Sodium 1-[2-Hydroxy-3-[4-(Hydroxy-Sulfonato-Methyl)-2-Methoxy-Phenoxy]Propyl]Pyridin-1-Ium-3-Carboxylate; Sodium 1-[2-Hydroxy-3-[4-(Hydroxy-Sulfonatomethyl)-2-Methoxyphenoxy]Propyl]-3-Pyridin-1-Iumcarboxylate; N-3-(2-Methoxy-4-Carboxaldehydephenoxy)-2-Hydroxypropylnicotinic Acid Betaine Sodium Bisulfite
• Molecular Formula: C₁₇H₁₈NNaO₉S
• Molecular Weight: 435.38
• CAS Registry Number: 68016-07-9
• SMILES: C1=C(C([S]([O-])(=O)=O)O)C=CC(=C1OC)OCC(O)C[N+]2=CC(=CC=C2)C([O-])=O.[Na+]
• InChI: 1S/C17H19NO9S.Na/c1-26-15-7-11(17(22)28(23,24)25)4-5-14(15)27-10-13(19)9-18-6-2-3-12(8-18)16(20)21;/h2-8,13,17,19,22H,9-10H2,1H3,(H-,20,21,23,24,25);/q;+1/p-1
• InChIKey: FLUHPABUEFAKIV-UHFFFAOYSA-M