Sodium 3-(2-{(Z)-[3-(3-Sulfonatopropyl)-1,3-Benzothiazol-2(3H)-Ylidene]Methyl}[1]Benzothieno[2,3-d][1,3]Thiazol-3-Ium-3-Yl)-1-Propanesulfonate
[CAS# 183365-76-6]

Identification

• Name: Sodium 3-(2-{(Z)-[3-(3-Sulfonatopropyl)-1,3-Benzothiazol-2(3H)-Ylidene]Methyl}[1]Benzothieno[2,3-d][1,3]Thiazol-3-Ium-3-Yl)-1-Propanesulfonate
• Synonyms: [1]Benzothieno[2,3-d]thiazolium, 3-(3-sulfopropyl)-2-[[3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]-, inner salt, sodium salt (9CI); [1]BENZOTHIENO[2,3-D]THIAZOLIUM,3-(3-SULFOPROPYL)-2-[[3-(3-SULFOPROPYL)-2(3H)-BENZOTHIAZOLYLIDENE]METHYL]-,INNER SALT, SODIUM SALT (1:1); sodium 3-(2-{[3-(3-sulfonatopropyl)-1,3-benzothiazol-2(3H)-ylidene]methyl}[1]benzothieno[2,3-d][1,3]thiazol-3-ium-3-yl)-1-propanesulfonate
• Molecular Formula: C₂₃H₂₁N₂NaO₆S₅
• Molecular Weight: 604.74
• CAS Registry Number: 183365-76-6
• SMILES: c1ccc2c(c1)c3c(s2)[n+](c(s3)C=C4N(c5ccccc5S4)CCCS(=O)(=O)[O-])CCCS(=O)(=O)[O-].[Na+]
• InChI: 1S/C23H22N2O6S5.Na/c26-35(27,28)13-5-11-24-17-8-2-4-10-19(17)32-20(24)15-21-25(12-6-14-36(29,30)31)23-22(34-21)16-7-1-3-9-18(16)33-23;/h1-4,7-10,15H,5-6,11-14H2,(H-,26,27,28,29,30,31);/q;+1/p-1
• InChIKey: SZRICYDHCRZMFF-UHFFFAOYSA-M

Properties

• Refractive index: (Cal.)