3,3'-Bis(3-sulfopropyl)-5,5'-diphenyl-9-ethyloxacarbocyanine Betaine Sodium Salt

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

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat