(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-[2-(3-methoxy-4-oxidanyl-phenyl)-3,5-bis(oxidanyl)chromenylium-7-yl]oxy-oxane-2,4,5-triol chloride

Systemtic Name: (2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-[2-(3-methoxy-4-oxidanyl-phenyl)-3,5-bis(oxidanyl)chromenylium-7-yl]oxy-oxane-2,4,5-triol chloride Openeye Name: (2R,3R,4S,5S,6R)-3-[3,5-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)chromenylium-7-yl]oxy-6-(hydroxymethyl)tetrahydropyran-2,4,5-triol chloride CAS Name: (2R,3R,4S,5S,6R)-3-[[3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium-7-yl]oxy]-6-(hydroxymethyl)oxane-2,4,5-triol chloride IUPAC Name: (2R,3R,4S,5S,6R)-3-[3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenylium-7-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol chloride Traditional Name: (2R,3R,4S,5S,6R)-3-[[3,5-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-1-benzopyrylium-7-yl]oxy]-6-methylol-tetrahydropyran-2,4,5-triol chloride Formula: C22H23ClO11 MolecularWeight: 498.86442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=C(C=C3C(=CC(=CC3=[O+]2)OC4C(C(C(OC4O)CO)O)O)O)O)O.[Cl-]

Isomeric SMILES

COC1=C(C=CC(=C1)C2=C(C=C3C(=CC(=CC3=[O+]2)O[C@@H]4[C@H]([C@@H]([C@H](O[C@H]4O)CO)O)O)O)O)O.[Cl-]

InChI

InChI=1S/C22H22O11.ClH/c1-30-16-4-9(2-3-12(16)24)20-14(26)7-11-13(25)5-10(6-15(11)32-20)31-21-19(28)18(27)17(8-23)33-22(21)29;/h2-7,17-19,21-23,27-29H,8H2,1H3,(H2-,24,25,26);1H/t17-,18-,19+,21-,22-;/m1./s1