3,3'-Bis(4-Sulfobutyl)-5,5'-Diphenyl-9-Ethyloxacarbocyanine betaine Sodium Salt
[CAS# 35501-76-9]

Identification

• Name: 3,3'-Bis(4-Sulfobutyl)-5,5'-Diphenyl-9-Ethyloxacarbocyanine betaine Sodium Salt
• Synonyms: 5-PHENYL-2-[2-[[5-PHENYL-3-(4-SULFOBUTYL)-2(3H)-BENZOXAZOLYLIDENE]METHYL]-1-BUTENYL]-3-(4-SULFOBUTYL)BENZOXAZOLIUM HYDROXIDE, INNER SALT, SODIUM SALT; 5-Phenyl-2-[2-[[5-Phenyl-3-(4-Sulfobutyl)-2(3H)-Benzoxazolylidene]Methyl]-1-Butenyl]-3-(4-Sulfobutyl)Benzoxazolium Hydroxide Inner Salt,Sodium Salt; SODIUM-1-W-SULFOBUTYL-2-(2-ETHYL-3-(1-W-SULFOBUTYL-6-PHENYL-1,3-BENZOXAZOLIN-2-YLIDEN)-PROP-1-EN-1-YL)-6-PHENYL-1,3-BENZOXAZOLIUM-BETAINE
• Molecular Formula: C₃₉H₃₉N₂NaO₈S₂
• Molecular Weight: 750.86
• CAS Registry Number: 35501-76-9
• SMILES: CC/C(=C\c1oc2c([n+]1CCCCS(=O)(=O)[O-])cc(cc2)c1ccccc1)/C=c\1/oc2c(n1CCCCS(=O)(=O)[O-])cc(cc2)c1ccccc1.[Na+]
• InChI: 1S/C39H40N2O8S2.Na/c1-2-29(25-38-40(21-9-11-23-50(42,43)44)34-27-32(17-19-36(34)48-38)30-13-5-3-6-14-30)26-39-41(22-10-12-24-51(45,46)47)35-28-33(18-20-37(35)49-39)31-15-7-4-8-16-31;/h3-8,13-20,