4-[[6-[(3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-3-oxidanylidene-1-benzofuran-2-ylidene]methyl]-2-oxidanyl-phenolate

Systemtic Name: 4-[[6-[(3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-3-oxidanylidene-1-benzofuran-2-ylidene]methyl]-2-oxidanyl-phenolate Openeye Name: 2-hydroxy-4-[[4-hydroxy-3-oxo-6-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzofuran-2-ylidene]methyl]phenolate CAS Name: 2-hydroxy-4-[[4-hydroxy-3-oxo-6-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-benzofuranylidene]methyl]phenolate IUPAC Name: 2-hydroxy-4-[[4-hydroxy-3-oxo-6-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-2-ylidene]methyl]phenolate Traditional Name: 2-hydroxy-4-[[4-hydroxy-3-keto-6-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-coumaran-2-ylidene]methyl]phenolate Formula: C21H19O11- MolecularWeight: 447.36896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=C2C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1C=C2C(=O)C3=C(C=C(C=C3O2)OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)[O-]

InChI

InChI=1S/C21H20O11/c22-7-15-18(27)19(28)20(29)21(32-15)30-9-5-12(25)16-13(6-9)31-14(17(16)26)4-8-1-2-10(23)11(24)3-8/h1-6,15,18-25,27-29H,7H2/p-1/t15-,18-,19+,20-,21?/m1/s1