Catalog Number:
AG009CKA
Chemical Name:
Spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-6-carboxylic acid, 3'-hydroxy-3-oxo-6'-[[(trifluoromethyl)sulfonyl]oxy]-
CAS Number:
1268491-68-4
Molecular Formula:
C22H11F3O9S
Molecular Weight:
508.3775
MDL Number:
MFCD29472318
IUPAC Name:
3'-hydroxy-1-oxo-6'-(trifluoromethylsulfonyloxy)spiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid
InChI:
InChI=1S/C22H11F3O9S/c23-22(24,25)35(30,31)34-12-3-6-15-18(9-12)32-17-8-11(26)2-5-14(17)21(15)16-7-10(19(27)28)1-4-13(16)20(29)33-21/h1-9,26H,(H,27,28)
InChI Key:
VWMBBTFFSLOEBI-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cc(cc2)C(=O)O)ccc(c1)OS(=O)(=O)C(F)(F)F
