(3,5-Dihydroxy-4-(1-(Hydroxyimino)-3-(3-Hydroxy-4-MethoxyPhenyl)Propyl)Phenoxy)-Acetic Acid Monosodium Salt
[CAS# 70413-07-9]

Identification

• Name: (3,5-Dihydroxy-4-(1-(Hydroxyimino)-3-(3-Hydroxy-4-MethoxyPhenyl)Propyl)Phenoxy)-Acetic Acid Monosodium Salt
• Synonyms: Sodium 2-[[(4Z)-5-Hydroxy-4-[1-(Hydroxyamino)-3-(3-Hydroxy-4-Methoxy-Phenyl)Propylidene]-3-Oxo-1-Cyclohexa-1,5-Dienyl]Oxy]Acetate; Sodium 2-[[(4Z)-5-Hydroxy-4-[1-(Hydroxyamino)-3-(3-Hydroxy-4-Methoxy-Phenyl)Propylidene]-3-Keto-1-Cyclohexa-1,5-Dienyl]Oxy]Acetate; Sodium 2-[[(4Z)-5-Hydroxy-4-[1-(Hydroxyamino)-3-(3-Hydroxy-4-Methoxy-Phenyl)Propylidene]-3-Oxo-1-Cyclohexa-1,5-Dienyl]Oxy]Ethanoate
• Molecular Formula: C₁₈H₁₈NNaO₈
• Molecular Weight: 399.33
• CAS Registry Number: 70413-07-9
• SMILES: C2=C(CC\C(NO)=C1/C(=CC(=CC1=O)OCC([O-])=O)O)C=CC(=C2O)OC.[Na+]
• InChI: 1S/C18H19NO8.Na/c1-26-16-5-3-10(6-13(16)20)2-4-12(19-25)18-14(21)7-11(8-15(18)22)27-9-17(23)24;/h3,5-8,19-21,25H,2,4,9H2,1H3,(H,23,24);/q;+1/p-1/b18-12-
• InChIKey: CQFWLJAYPVUFKB-UWRQUICRSA-M

Properties

• Boiling point: 643.7°C at 760 mmHg (Cal.)
• Flash point: 343.1°C (Cal.)