3,5-bis(trifluoromethyl)benzenesulfonate; (2-oxidanylidenechromen-7-yl)sulfanium

Systemtic Name: 3,5-bis(trifluoromethyl)benzenesulfonate; (2-oxidanylidenechromen-7-yl)sulfanium Openeye Name: 3,5-bis(trifluoromethyl)benzenesulfonate; (2-oxochromen-7-yl)sulfonium CAS Name: 3,5-bis(trifluoromethyl)benzenesulfonate; (2-oxo-1-benzopyran-7-yl)sulfonium IUPAC Name: 3,5-bis(trifluoromethyl)benzenesulfonate; (2-oxochromen-7-yl)sulfanium Traditional Name: 3,5-bis(trifluoromethyl)besylate; (2-ketochromen-7-yl)sulfonium Formula: C17H10F6O5S2 MolecularWeight: 472.378719

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C1C=CC(=O)O2)[SH2+].C1=C(C=C(C=C1C(F)(F)F)S(=O)(=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC2=C1C=CC(=O)O2)[SH2+].C1=C(C=C(C=C1C(F)(F)F)S(=O)(=O)[O-])C(F)(F)F

InChI

InChI=1S/C9H6O2S.C8H4F6O3S/c10-9-4-2-6-1-3-7(12)5-8(6)11-9;9-7(10,11)4-1-5(8(12,13)14)3-6(2-4)18(15,16)17/h1-5,12H;1-3H,(H,15,16,17)