5-[1-Methyl-2-(3-Methyl-2(3H)-Benzoxazol-1-Ylidene)Ethylidene]-4-Oxo-2-Thioxo-3-Oxazolidineethanesulphonic Acid
[CAS# 67801-09-6]

Identification

• Name: 5-[1-Methyl-2-(3-Methyl-2(3H)-Benzoxazol-1-Ylidene)Ethylidene]-4-Oxo-2-Thioxo-3-Oxazolidineethanesulphonic Acid
• Synonyms: 2-[(5Z)-5-[(2E)-1-Methyl-2-(3-Methyl-1,3-Benzoxazol-2-Ylidene)Ethylidene]-4-Oxo-2-Thioxo-Oxazolidin-3-Yl]Ethanesulfonic Acid; 2-[(5Z)-5-[(2E)-1-Methyl-2-(3-Methyl-1,3-Benzoxazol-2-Ylidene)Ethylidene]-4-Oxo-2-Thioxo-3-Oxazolidinyl]Ethanesulfonic Acid; 2-[(5Z)-4-Keto-5-[(2E)-1-Methyl-2-(3-Methyl-1,3-Benzoxazol-2-Ylidene)Ethylidene]-2-Thioxo-Oxazolidin-3-Yl]Ethanesulfonic Acid
• Molecular Formula: C₁₆H₁₆N₂O₆S₂
• Molecular Weight: 396.43
• CAS Registry Number: 67801-09-6
• EINECS: 267-128-9
• SMILES: C1=C3C(=CC=C1)O/C(=C/C(=C2/C(=O)N(C(O2)=S)CC[S](=O)(=O)O)C)N3C
• InChI: 1S/C16H16N2O6S2/c1-10(9-13-17(2)11-5-3-4-6-12(11)23-13)14-15(19)18(16(25)24-14)7-8-26(20,21)22/h3-6,9H,7-8H2,1-2H3,(H,20,21,22)/b13-9+,14-10-
• InChIKey: WALBVDGKOSRRIN-ITAGJCAXSA-N

Properties

• Density: 1.61g/cm³ (Cal.)