Sodium alpha-Methyl 5-[[6-Methoxy-3-(4-Sulphonato-2-Butyl)Benzoxazol-2(3H)-Ylidene]Ethylidene]-3-Methyl-4-Oxo-2-Thioxoimidazolidin-1-Ylacetate
[CAS# 84434-25-3]

Identification

• Name: Sodium alpha-Methyl 5-[[6-Methoxy-3-(4-Sulphonato-2-Butyl)Benzoxazol-2(3H)-Ylidene]Ethylidene]-3-Methyl-4-Oxo-2-Thioxoimidazolidin-1-Ylacetate
• Synonyms: Sodium 2-[(5Z)-5-[(2E)-2-[6-Methoxy-3-(4-Sulfonatobutyl)-1,3-Benzoxazol-2-Ylidene]Ethylidene]-3-Methyl-4-Oxo-2-Thioxo-Imidazolidin-1-Yl]Propanoate; Sodium 2-[(5Z)-5-[(2E)-2-[6-Methoxy-3-(4-Sulfonatobutyl)-1,3-Benzoxazol-2-Ylidene]Ethylidene]-3-Methyl-4-Oxo-2-Thioxo-1-Imidazolidinyl]Propanoate; Sodium 2-[(5Z)-4-Keto-5-[(2E)-2-[6-Methoxy-3-(4-Sulfonatobutyl)-1,3-Benzoxazol-2-Ylidene]Ethylidene]-3-Methyl-2-Thioxo-Imidazolidin-1-Yl]Propionate
• Molecular Formula: C₂₁H₂₃N₃NaO₈S₂
• Molecular Weight: 532.54
• CAS Registry Number: 84434-25-3
• EINECS: 282-825-8
• SMILES: C1=C(OC)C=CC2=C1O/C(N2CCCC[S]([O-])(=O)=O)=C/C=C/3N(C(=S)N(C3=O)C)C(C([O-])=O)C.[Na+]
• InChI: 1S/C21H25N3O8S2.Na/c1-13(20(26)27)24-16(19(25)22(2)21(24)33)8-9-18-23(10-4-5-11-34(28,29)30)15-7-6-14(31-3)12-17(15)32-18;/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,26,27)(H,28,29,30);/q;+1/p-2/b16-8-,18-9+
• InChIKey: MVLBRVPIRMBWIT-KNFBKHDHSA-L