2-[6-oxidanylidene-9-(trifluoromethylsulfonyloxy)xanthen-3-yl]benzoic acid

Systemtic Name: 2-[6-oxidanylidene-9-(trifluoromethylsulfonyloxy)xanthen-3-yl]benzoic acid Openeye Name: 2-[6-oxo-9-(trifluoromethylsulfonyloxy)xanthen-3-yl]benzoic acid CAS Name: 2-[6-oxo-9-(trifluoromethylsulfonyloxy)-3-xanthenyl]benzoic acid IUPAC Name: 2-[6-oxo-9-(trifluoromethylsulfonyloxy)xanthen-3-yl]benzoic acid Traditional Name: 2-(6-keto-9-triflyloxy-xanthen-3-yl)benzoic acid Formula: C21H11F3O7S MolecularWeight: 464.36805

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC3=C(C=C2)C(=C4C=CC(=O)C=C4O3)OS(=O)(=O)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC3=C(C=C2)C(=C4C=CC(=O)C=C4O3)OS(=O)(=O)C(F)(F)F)C(=O)O

InChI

InChI=1S/C21H11F3O7S/c22-21(23,24)32(28,29)31-19-15-7-5-11(13-3-1-2-4-14(13)20(26)27)9-17(15)30-18-10-12(25)6-8-16(18)19/h1-10H,(H,26,27)