Sodium 3-[(2Z)-2-{[(3E)-5,5-Dimethyl-3-{[3-(3-Sulfonatopropyl)-1,3-Benzothiazol-3-Ium-2-Yl]Methylene}-1-Cyclohexen-1-Yl]Methylene}-1,3-Benzothiazol-3(2H)-Yl]-1-Propanesulfonate
[CAS# 138623-83-3]

Identification

• Name: Sodium 3-[(2Z)-2-{[(3E)-5,5-Dimethyl-3-{[3-(3-Sulfonatopropyl)-1,3-Benzothiazol-3-Ium-2-Yl]Methylene}-1-Cyclohexen-1-Yl]Methylene}-1,3-Benzothiazol-3(2H)-Yl]-1-Propanesulfonate
• Synonyms: Benzothiazolium, 2-[[5,5-dimethyl-3-[[3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]-2-cyclohexen-1-ylidene]methyl]-3-(3-sulfopropyl)-, inner salt, sodium salt (9CI), ethanole solvate; sodium 3-{2-[(Z)-(5,5-dimethyl-3-{(E)-[3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]methylidene}-1-cyclohexen-1-yl)methylidene]-1,3-benzothiazol-3-yl}-1-propanesulfonate
• Molecular Formula: C₃₀H₃₃N₂NaO₆S₄
• Molecular Weight: 668.84
• CAS Registry Number: 138623-83-3
• SMILES: CC1(CC(=CC(=Cc2[n+](c3ccccc3s2)CCCS(=O)(=O)[O-])C1)C=C4N(c5ccccc5S4)CCCS(=O)(=O)[O-])C.[Na+]
• InChI: 1S/C30H34N2O6S4.Na/c1-30(2)20-22(18-28-31(13-7-15-41(33,34)35)24-9-3-5-11-26(24)39-28)17-23(21-30)19-29-32(14-8-16-42(36,37)38)25-10-4-6-12-27(25)40-29;/h3-6,9-12,17-19H,7-8,13-16,20-21H2,1-2H3,(H-,33,34,35,36,37,38);/q;+1/p-1
• InChIKey: XSGXVCUGJKNWKR-UHFFFAOYSA-M

Properties

• Refractive index: (Cal.)