(6-fluoranyl-2-oxidanyl-4-oxidanylidene-chromen-3-yl)-methyl-[2-(3,4,5-trimethoxyphenyl)carbonyloxyethyl]sulfanium

Systemtic Name: (6-fluoranyl-2-oxidanyl-4-oxidanylidene-chromen-3-yl)-methyl-[2-(3,4,5-trimethoxyphenyl)carbonyloxyethyl]sulfanium Openeye Name: (6-fluoro-2-hydroxy-4-oxo-chromen-3-yl)-methyl-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]sulfonium CAS Name: (6-fluoro-2-hydroxy-4-oxo-1-benzopyran-3-yl)-methyl-[2-[oxo-(3,4,5-trimethoxyphenyl)methoxy]ethyl]sulfonium IUPAC Name: (6-fluoro-2-hydroxy-4-oxochromen-3-yl)-methyl-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]sulfanium Traditional Name: (6-fluoro-2-hydroxy-4-keto-chromen-3-yl)-methyl-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]sulfonium Formula: C22H22FO8S+ MolecularWeight: 465.468683

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OCC[S+](C)C2=C(OC3=C(C2=O)C=C(C=C3)F)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OCC[S+](C)C2=C(OC3=C(C2=O)C=C(C=C3)F)O

InChI

InChI=1S/C22H21FO8S/c1-27-16-9-12(10-17(28-2)19(16)29-3)21(25)30-7-8-32(4)20-18(24)14-11-13(23)5-6-15(14)31-22(20)26/h5-6,9-11H,7-8H2,1-4H3/p+1