potassium 5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1,3-bis(oxidanyl)-9-oxidanylidene-xanthene-4-sulfonate

Systemtic Name: potassium 5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1,3-bis(oxidanyl)-9-oxidanylidene-xanthene-4-sulfonate Openeye Name: potassium 1,3-dihydroxy-9-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-xanthene-4-sulfonate CAS Name: potassium 1,3-dihydroxy-9-oxo-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4-xanthenesulfonate IUPAC Name: potassium 1,3-dihydroxy-9-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthene-4-sulfonate Traditional Name: potassium 1,3-dihydroxy-9-keto-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-xanthene-4-sulfonate Formula: C19H17KO13S MolecularWeight: 524.49378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)OC4=C(C2=O)C(=CC(=C4S(=O)(=O)[O-])O)O.[K+]

Isomeric SMILES

C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC4=C(C2=O)C(=CC(=C4S(=O)(=O)[O-])O)O.[K+]

InChI

InChI=1S/C19H18O13S.K/c20-5-10-13(24)14(25)15(26)19(31-10)30-9-3-1-2-6-12(23)11-7(21)4-8(22)18(33(27,28)29)17(11)32-16(6)9;/h1-4,10,13-15,19-22,24-26H,5H2,(H,27,28,29);/q;+1/p-1/t10-,13-,14+,15-,19-;/m1./s1