3-oxidanylidene-3-[[(2S,3R,4R,5S,6R)-3,4,5-tris(oxidanyl)-6-(5-oxidanyl-4-oxidanylidene-3-phenyl-chromen-7-yl)oxy-oxan-2-yl]methoxy]propanoic acid

Systemtic Name: 3-oxidanylidene-3-[[(2S,3R,4R,5S,6R)-3,4,5-tris(oxidanyl)-6-(5-oxidanyl-4-oxidanylidene-3-phenyl-chromen-7-yl)oxy-oxan-2-yl]methoxy]propanoic acid Openeye Name: 3-oxo-3-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(5-hydroxy-4-oxo-3-phenyl-chromen-7-yl)oxy-tetrahydropyran-2-yl]methoxy]propanoic acid CAS Name: 3-oxo-3-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[(5-hydroxy-4-oxo-3-phenyl-1-benzopyran-7-yl)oxy]-2-oxanyl]methoxy]propanoic acid IUPAC Name: 3-oxo-3-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(5-hydroxy-4-oxo-3-phenylchromen-7-yl)oxyoxan-2-yl]methoxy]propanoic acid Traditional Name: 3-keto-3-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(5-hydroxy-4-keto-3-phenyl-chromen-7-yl)oxy-tetrahydropyran-2-yl]methoxy]propionic acid Formula: C24H22O12 MolecularWeight: 502.42428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)COC(=O)CC(=O)O)O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)COC(=O)CC(=O)O)O)O)O

InChI

InChI=1S/C24H22O12/c25-14-6-12(7-15-19(14)20(29)13(9-33-15)11-4-2-1-3-5-11)35-24-23(32)22(31)21(30)16(36-24)10-34-18(28)8-17(26)27/h1-7,9,16,21-25,30-32H,8,10H2,(H,26,27)/t16-,21-,22+,23-,24-/m0/s1