3,3'-Bis(3-Sulfopropyl)-5-Chloro-9-Ethyl-5'-Phenyloxacarbocyanine betaine Sodium Salt
[CAS# 67326-80-1]

Identification

• Name: 3,3'-Bis(3-Sulfopropyl)-5-Chloro-9-Ethyl-5'-Phenyloxacarbocyanine betaine Sodium Salt
• Synonyms: Hydrogen 5-Chloro-2-(2-((5-Phenyl-3-(3-Sulphonatopropyl)-3H-Benzoxazol-2-Ylidene)Methyl)But-1-Enyl)-3-(3-Sulphonatopropyl)Benzoxazolium, Sodium Salt
• Molecular Formula: C₃₁H₃₂ClN₂NaO₈S₂
• Molecular Weight: 683.17
• CAS Registry Number: 67326-80-1
• EINECS: 266-643-6
• SMILES: C2=C1[N+](=C(OC1=CC=C2C3=CC=CC=C3)C=C(C=C5OC4=CC=C(Cl)CC4N5CCC[S]([O-])(=O)=O)CC)CCC[S]([O-])(=O)=O.[Na+]
• InChI: 1S/C31H33ClN2O8S2.Na/c1-2-22(19-31-34(15-7-17-44(38,39)40)27-21-25(32)11-13-29(27)42-31)18-30-33(14-6-16-43(35,36)37)26-20-24(10-12-28(26)41-30)23-8-4-3-5-9-23;/h3-5,8-13,18-20,27H,2,6-7,14-17,21H2,1H3,(H-,35,36,37,38,39,40);/q;+1/p-1
• InChIKey: ASOSKAFNSSMLDX-UHFFFAOYSA-M