lithium (2S,3S,4S,5R,6S)-6-[6,8-bis(fluoranyl)-4-methyl-2-oxidanylidene-chromen-7-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylate

Systemtic Name: lithium (2S,3S,4S,5R,6S)-6-[6,8-bis(fluoranyl)-4-methyl-2-oxidanylidene-chromen-7-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylate Openeye Name: lithium (2S,3S,4S,5R,6S)-6-(6,8-difluoro-4-methyl-2-oxo-chromen-7-yl)oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylate CAS Name: lithium (2S,3S,4S,5R,6S)-6-[(6,8-difluoro-4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-3,4,5-trihydroxy-2-oxanecarboxylate IUPAC Name: lithium (2S,3S,4S,5R,6S)-6-(6,8-difluoro-4-methyl-2-oxochromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylate Traditional Name: lithium (2S,3S,4S,5R,6S)-6-(6,8-difluoro-2-keto-4-methyl-chromen-7-yl)oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylate Formula: C16H13F2LiO9 MolecularWeight: 394.206826

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].CC1=CC(=O)OC2=C(C(=C(C=C12)F)OC3C(C(C(C(O3)C(=O)[O-])O)O)O)F

Isomeric SMILES

[Li+].CC1=CC(=O)OC2=C(C(=C(C=C12)F)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O)F

InChI

InChI=1S/C16H14F2O9.Li/c1-4-2-7(19)25-12-5(4)3-6(17)13(8(12)18)26-16-11(22)9(20)10(21)14(27-16)15(23)24;/h2-3,9-11,14,16,20-22H,1H3,(H,23,24);/q;+1/p-1/t9-,10-,11+,14-,16+;/m0./s1