Analyte Name

6-JOE SE

CAS Number

113394-23-3

Molecular Formula

C27H17Cl2NO11

Molecular Weight

602.33

Accurate Mass

601.02

SMILES

O=C(C1=CC=C2C(OC3(C2=C1)C4=CC(OC)=C(C(Cl)=C4OC5=C(C(O)=C(C=C53)OC)Cl)O)=O)ON6C(CCC6=O)=O

InChI

InChI=1S/C27H17Cl2NO11/c1-37-15-8-13-23(19(28)21(15)33)39-24-14(9-16(38-2)22(34)20(24)29)27(13)12-7-10(3-4-11(12)26(36)40-27)25(35)41-30-17(31)5-6-18(30)32/h3-4,7-9,33-34H,5-6H2,1-2H3

IUPAC

2,5-dioxopyrrolidin-1-yl 4',5'-dichloro-3',6'-dihydroxy-2',7'-dimethoxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-6-carboxylate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Contaminant

Product Format

Neat