Sodium 2-[(4-Carboxybenzoyl)Amino]-1-Ethyl-4-(Propanoylamino)Cyclohexa-2,4-Diene-1-Carboxylate
[CAS# 124391-91-9]

Identification

• Name: Sodium 2-[(4-Carboxybenzoyl)Amino]-1-Ethyl-4-(Propanoylamino)Cyclohexa-2,4-Diene-1-Carboxylate
• Synonyms: Sodium 2-[[(4-Carboxyphenyl)-Oxomethyl]Amino]-1-Ethyl-4-(1-Oxopropylamino)-1-Cyclohexa-2,4-Dienecarboxylate; Sodium 2-[(4-Carboxybenzoyl)Amino]-1-Ethyl-4-Propionamido-Cyclohexa-2,4-Diene-1-Carboxylate; Sodium 2-[(4-Carboxyphenyl)Carbonylamino]-1-Ethyl-4-(Propanoylamino)Cyclohexa-2,4-Diene-1-Carboxylate
• Molecular Formula: C₂₀H₂₁N₂NaO₆
• Molecular Weight: 408.39
• CAS Registry Number: 124391-91-9
• SMILES: C2=C(C(=O)NC1=CC(=CCC1(C([O-])=O)CC)NC(=O)CC)C=CC(=C2)C(=O)O.[Na+]
• InChI: 1S/C20H22N2O6.Na/c1-3-16(23)21-14-9-10-20(4-2,19(27)28)15(11-14)22-17(24)12-5-7-13(8-6-12)18(25)26;/h5-9,11H,3-4,10H2,1-2H3,(H,21,23)(H,22,24)(H,25,26)(H,27,28);/q;+1/p-1
• InChIKey: XEELFOQAOSLYIY-UHFFFAOYSA-M

Properties

• Boiling point: 739.1°C at 760 mmHg (Cal.)
• Flash point: 400.8°C (Cal.)