Analyte Name

2-[7-[1,3-Dihydro-3,3-dimethyl-5-sulfo-1-(4-sulfobutyl)-2H-indol-2-ylidene]-1,3,5-heptatrien-1-yl]-3,3-dimethyl-5-sulfo-1-(4-sulfobutyl)-3H-indolium Inner Salt Potassium Salt (1:3)

CAS Number

111203-72-6

Molecular Formula

C35H41K3N2O12S4

Molecular Weight

927.25

Accurate Mass

926.05

SMILES

O=S(C1=CC=C2C(C(C)(C)/C(N2CCCCS(=O)(O[K])=O)=C\C=C\C=C\C=C\C3=[N+](CCCCS([O-])(=O)=O)C4=C(C=C(S(=O)(O[K])=O)C=C4)C3(C)C)=C1)(O[K])=O

InChI

InChI=1S/C35H44N2O12S4.3K/c1-34(2)28-24-26(52(44,45)46)16-18-30(28)36(20-10-12-22-50(38,39)40)32(34)14-8-6-5-7-9-15-33-35(3,4)29-25-27(53(47,48)49)17-19-31(29)37(33)21-11-13-23-51(41,42)43;;;/h5-9,14-19,24-25H,10-13,20-23H2,1-4H3,(H3-,38,39,40,41,42,43,44,45,46,47,48,49);;;/q;3*+1/p-3

IUPAC

potassium 2-((1E,3E,5E)-7-((E)-3,3-dimethyl-5-sulfonato-1-(4-sulfonatobutyl)indolin-2-ylidene)hepta-1,3,5-trien-1-yl)-3,3-dimethyl-1-(4-sulfonatobutyl)-3H-indol-1-ium-5-sulfonate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat