Indigo Carmine 5,7'-Isomer (~90%)

Analyte Name

Indigo Carmine 5,7'-Isomer

CAS Number

27414-68-2

Molecular Formula

C16 H8 N2 Na2 O8 S2

Molecular Weight

466.35

Accurate Mass

465.9517

SMILES

[Na]OS(=O)(=O)c1ccc2N\C(=C/3\Nc4c(cccc4S(=O)(=O)O[Na])C3=O)\C(=O)c2c1

InChI

InChI=1S/C16H10N2O8S2.2Na/c19-15-8-2-1-3-11(28(24,25)26)12(8)18-14(15)13-16(20)9-6-7(27(21,22)23)4-5-10(9)17-13;;/h1-6,17-18H,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2/b14-13+;;

IUPAC

[(2E)-3-oxo-2-(3-oxo-5-sodiooxysulfonyl-indolin-2-ylidene)indolin-7-yl]sulfonyloxysodium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat