Sodium 3-[(2Z)-5-Chloro-2-{3-[5-Chloro-3-(3-Sulfonatopropyl)-1,3-Benzothiazol-3-Ium-2-Yl]-2-Cyclopenten-1-Ylidene}-1,3-Benzothiazol-3(2H)-Yl]-1-Propanesulfonate
[CAS# 351524-15-7]

Identification

• Name: Sodium 3-[(2Z)-5-Chloro-2-{3-[5-Chloro-3-(3-Sulfonatopropyl)-1,3-Benzothiazol-3-Ium-2-Yl]-2-Cyclopenten-1-Ylidene}-1,3-Benzothiazol-3(2H)-Yl]-1-Propanesulfonate
• Synonyms: Benzothiazolium, 5-chloro-2-[3-[5-chloro-3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]-1-cyclopenten-1-yl]-3-(3-sulfopropyl)-, inner salt, sodium salt (9CI); sodium 3-(5-chloro-2-{3-[5-chloro-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]-2-cyclopenten-1-ylidene}-1,3-benzothiazol-3-yl)-1-propanesulfonate
• Molecular Formula: C₂₅H₂₃Cl₂N₂NaO₆S₄
• Molecular Weight: 669.62
• CAS Registry Number: 351524-15-7
• SMILES: c1cc2c(cc1Cl)[n+](c(s2)C3=CC(=C4N(c5cc(ccc5S4)Cl)CCCS(=O)(=O)[O-])CC3)CCCS(=O)(=O)[O-].[Na+]
• InChI: 1S/C25H24Cl2N2O6S4.Na/c26-18-5-7-22-20(14-18)28(9-1-11-38(30,31)32)24(36-22)16-3-4-17(13-16)25-29(10-2-12-39(33,34)35)21-15-19(27)6-8-23(21)37-25;/h5-8,13-15H,1-4,9-12H2,(H-,30,31,32,33,34,35);/q;+1/p-1
• InChIKey: JYQGDTRMFOFCFM-UHFFFAOYSA-M

Properties

• Refractive index: (Cal.)