5-Phenyl-2-[2-[[5-Phenyl-3-(3-Sulfopropyl)-2(3H)-Benzoxazolylidene]Methyl-1-Butenyl]-3-(3-Sulfopropyl)Benzoxazolium Hydroxide, Inner Salt], Sodium Salt
[CAS# 33628-03-4]

Identification

• Name: 5-Phenyl-2-[2-[[5-Phenyl-3-(3-Sulfopropyl)-2(3H)-Benzoxazolylidene]Methyl-1-Butenyl]-3-(3-Sulfopropyl)Benzoxazolium Hydroxide, Inner Salt], Sodium Salt
• Synonyms: Sodium 3-[5-Phenyl-2-[(E)-2-[(Z)-[5-Phenyl-3-(3-Sulfonatopropyl)-1,3-Benzoxazol-2-Ylidene]Methyl]But-1-Enyl]-1,3-Benzoxazol-3-Ium-3-Yl]Propane-1-Sulfonate; Sodium 3-[(2Z)-5-Phenyl-2-[(2E)-2-[[5-Phenyl-3-(3-Sulfonatopropyl)-1,3-Benzoxazol-3-Ium-2-Yl]Methylidene]Butylidene]-1,3-Benzoxazol-3-Yl]Propane-1-Sulfonate; Sodium 3-[(2Z)-5-Phenyl-2-[(2E)-2-[[5-Phenyl-3-(3-Sulfonatopropyl)-1,3-Benzoxazol-3-Ium-2-Yl]Methylene]Butylidene]-1,3-Benzoxazol-3-Yl]Propane-1-Sulfonate
• Molecular Formula: C₃₇H₃₅N₂NaO₈S₂
• Molecular Weight: 722.80
• CAS Registry Number: 33628-03-4
• EINECS: 251-603-2
• SMILES: C2=C(C1=CC=CC=C1)C=CC6=C2N(C(=C/C(=CC3=[N+](C4=C(O3)C=CC(=C4)C5=CC=CC=C5)CCC[S](=O)(=O)[O-])CC)/O6)CCC[S](=O)(=O)[O-].[Na+]
• InChI: 1S/C37H36N2O8S2.Na/c1-2-27(23-36-38(19-9-21-48(40,41)42)32-25-30(15-17-34(32)46-36)28-11-5-3-6-12-28)24-37-39(20-10-22-49(43,44)45)33-26-31(16-18-35(33)47-37)29-13-7-4-8-14-29;/h3-8,11-18,23-26H,2,9-10,19-22H2,1H3,(H-,40,41,42,43,44,45);/q;+1/p-1
• InChIKey: MDBAEQGNAMHPTI-UHFFFAOYSA-M