3,3'-Bis(3-sulfopropyl)-5,5'-diphenyl-9-ethyloxacarbocyanine Betaine Sodium Salt
Product Code
TRC-B535145-10G
CAS Number
Product Format
Neat
Molecular Formula
C37 H35 N2 Na O8 S2
Molecular Weight
722.802
Product Categories
Product Information
Chemical Data
Analyte Name
3,3'-Bis(3-sulfopropyl)-5,5'-diphenyl-9-ethyloxacarbocyanine Betaine Sodium Salt
CAS Number
33628-03-4
Molecular Formula
C37 H35 N2 Na O8 S2
Molecular Weight
722.802
Accurate Mass
722.173
SMILES
CC\C(=C/c1oc2ccc(cc2[n+]1CCCS(=O)(=O)[O-])c3ccccc3)\C=C\4/Oc5ccc(cc5N4CCCS(=O)(=O)O[Na])c6ccccc6
InChI
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
IUPAC
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]propylsulfonyloxysodium
Product Data
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat