Analyte Name

Cyanine 3 Bisfunctional MTSEA Dye, Potassium Salt

Molecular Formula

C41 H57 K N4 O12 S6

Molecular Weight

1029.399

Accurate Mass

1028.193

SMILES

CC1(C)\C(=C/C=C/C2=[N+](CCCCCC(=O)NCCSS(=O)(=O)C)c3ccc(cc3C2(C)C)S(=O)(=O)[O-])\N(CCCCCC(=O)NCCSS(=O)(=O)C)c4ccc(cc14)S(=O)(=O)O[K]

InChI

InChI=1S/C41H58N4O12S6.K/c1-40(2)32-28-30(62(52,53)54)18-20-34(32)44(24-11-7-9-16-38(46)42-22-26-58-60(5,48)49)36(40)14-13-15-37-41(3,4)33-29-31(63(55,56)57)19-21-35(33)45(37)25-12-8-10-17-39(47)43-23-27-59-61(6,50)51;/h13-15,18-21,28-29H,7-12,16-17,22-27H2,1-6H3,(H3-,42,43,46,47,52,53,54,55,56,57);/q;+1/p-1

IUPAC

[(2E)-2-[(E)-3-[3,3-dimethyl-1-[6-(2-methylsulfonylsulfanylethylamino)-6-oxohexyl]-5-sulfonatoindol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-1-[6-(2-methylsulfonylsulfanylethylamino)-6-oxohexyl]indol-5-yl]sulfonyloxypotassium

Alternate CAS Number

MTSEA: 190852-41-6

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat