Name: Name:3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-3',6'-diyl bis(trifluoromethanesulfonate)
Brand: Angene
SKU: AG01DH3V
Rating: 90 (10 reviews)

3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-3',6'-diyl bis(trifluoromethanesulfonate)

CAS No.:

1195931-66-8

Catalog Number:

AG01DH3V

Molecular Formula:

C22H10F6O9S2

Molecular Weight:

596.4298

Catalog Number:

AG01DH3V

Chemical Name:

3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-3',6'-diyl bis(trifluoromethanesulfonate)

CAS Number:

1195931-66-8

Molecular Formula:

C22H10F6O9S2

Molecular Weight:

596.4298

MDL Number:

MFCD31706256

IUPAC Name:

[3-oxo-6'-(trifluoromethylsulfonyloxy)spiro[2-benzofuran-1,9'-xanthene]-3'-yl] trifluoromethanesulfonate

InChI:

InChI=1S/C22H10F6O9S2/c23-21(24,25)38(30,31)36-11-5-7-15-17(9-11)34-18-10-12(37-39(32,33)22(26,27)28)6-8-16(18)20(15)14-4-2-1-3-13(14)19(29)35-20/h1-10H

InChI Key:

PLBLHRSNJXRAJK-UHFFFAOYSA-N

SMILES:

O=C1OC2(c3c1cccc3)c1ccc(cc1Oc1c2ccc(c1)OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F

Complexity:

1100

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

595.967g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

596.423g/mol

Monoisotopic Mass:

595.967g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

139A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.6