3-(4-chlorophenyl)-7-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-chromen-4-one

Systemtic Name: 3-(4-chlorophenyl)-7-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-chromen-4-one Openeye Name: 3-(4-chlorophenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one CAS Name: 3-(4-chlorophenyl)-5-hydroxy-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one IUPAC Name: 3-(4-chlorophenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one Traditional Name: 3-(4-chlorophenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone Formula: C21H19ClO9 MolecularWeight: 450.82316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)Cl

InChI

InChI=1S/C21H19ClO9/c22-10-3-1-9(2-4-10)12-8-29-14-6-11(5-13(24)16(14)17(12)25)30-21-20(28)19(27)18(26)15(7-23)31-21/h1-6,8,15,18-21,23-24,26-28H,7H2/t15-,18-,19+,20-,21-/m1/s1