(2E)-7-(2-Amino-3-Hydroxy-3-Oxopropyl)-2-[7-(2-Amino-3-Hydroxy-3-Oxopropyl)-5-Hydroxy-3-Oxo-4H-1,4-Benzothiazin-2-Ylidene]-5-Hydroxy-1,4-Benzothiazine-3-Carboxylic Acid
[CAS# 32214-49-6]

Identification

• Name: (2E)-7-(2-Amino-3-Hydroxy-3-Oxopropyl)-2-[7-(2-Amino-3-Hydroxy-3-Oxopropyl)-5-Hydroxy-3-Oxo-4H-1,4-Benzothiazin-2-Ylidene]-5-Hydroxy-1,4-Benzothiazine-3-Carboxylic Acid
• Synonyms: (2E)-7-(2-Amino-3-Hydroxy-3-Oxo-Propyl)-2-[7-(2-Amino-3-Hydroxy-3-Oxo-Propyl)-5-Hydroxy-3-Oxo-4H-1,4-Benzothiazin-2-Ylidene]-5-Hydroxy-1,4-Benzothiazine-3-Carboxylic Acid; (2E)-7-(2-Amino-3-Hydroxy-3-Keto-Propyl)-2-[7-(2-Amino-3-Hydroxy-3-Keto-Propyl)-5-Hydroxy-3-Keto-4H-1,4-Benzothiazin-2-Ylidene]-5-Hydroxy-1,4-Benzothiazine-3-Carboxylic Acid; Trichochrome C
• Molecular Formula: C₂₃H₂₀N₄O₉S₂
• Molecular Weight: 560.55
• CAS Registry Number: 32214-49-6
• SMILES: C4=C3SC(=C\2SC1=CC(=CC(=C1NC2=O)O)CC(N)C(=O)O)/C(=NC3=C(O)C=C4CC(N)C(=O)O)C(=O)O
• InChI: 1S/C23H20N4O9S2/c24-9(21(31)32)1-7-3-11(28)15-13(5-7)37-18(17(26-15)23(35)36)19-20(30)27-16-12(29)4-8(6-14(16)38-19)2-10(25)22(33)34/h3-6,9-10,28-29H,1-2,24-25H2,(H,27,30)(H,31,32)(H,33,34)(H,35,36)/b19-18+
• InChIKey: IVHWGSWUQQWMOD-VHEBQXMUSA-N

Properties

• Density: 1.896g/cm³ (Cal.)