[3-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-4-oxidanylidene-chromen-7-yl] benzoate

Systemtic Name: [3-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-4-oxidanylidene-chromen-7-yl] benzoate Openeye Name: [2-hydroxy-4-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-7-yl] benzoate CAS Name: benzoic acid [2-hydroxy-4-oxo-3-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-7-yl] ester IUPAC Name: [2-hydroxy-4-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-7-yl] benzoate Traditional Name: benzoic acid [2-hydroxy-4-keto-3-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)oxy-chromen-7-yl] ester Formula: C22H20O11 MolecularWeight: 460.3876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)O)OC4C(C(C(C(O4)CO)O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)O)OC4C(C(C(C(O4)CO)O)O)O

InChI

InChI=1S/C22H20O11/c23-9-14-16(25)17(26)18(27)22(32-14)33-19-15(24)12-7-6-11(8-13(12)31-21(19)29)30-20(28)10-4-2-1-3-5-10/h1-8,14,16-18,22-23,25-27,29H,9H2