zinc (2S,3S)-6-[5,6-bis(oxidanyl)-4-oxidanylidene-2-phenyl-chromen-7-yl]oxy-3,5-bis(oxidanyl)-3,4-dihydro-2H-pyran-2-carboxylate ethanoate

Systemtic Name: zinc (2S,3S)-6-[5,6-bis(oxidanyl)-4-oxidanylidene-2-phenyl-chromen-7-yl]oxy-3,5-bis(oxidanyl)-3,4-dihydro-2H-pyran-2-carboxylate ethanoate Openeye Name: zinc (2S,3S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-chromen-7-yl)oxy-3,5-dihydroxy-3,4-dihydro-2H-pyran-2-carboxylate acetate CAS Name: zinc (2S,3S)-6-[(5,6-dihydroxy-4-oxo-2-phenyl-1-benzopyran-7-yl)oxy]-3,5-dihydroxy-3,4-dihydro-2H-pyran-2-carboxylate acetate IUPAC Name: zinc (2S,3S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,5-dihydroxy-3,4-dihydro-2H-pyran-2-carboxylate acetate Traditional Name: zinc (2S,3S)-6-(5,6-dihydroxy-4-keto-2-phenyl-chromen-7-yl)oxy-3,5-dihydroxy-3,4-dihydro-2H-pyran-2-carboxylate acetate Formula: C23H18O12Zn MolecularWeight: 551.79082

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1C(C(OC(=C1O)OC2=C(C(=C3C(=C2)OC(=CC3=O)C4=CC=CC=C4)O)O)C(=O)[O-])O.[Zn+2]

Isomeric SMILES

CC(=O)[O-].C1[C@@H]([C@H](OC(=C1O)OC2=C(C(=C3C(=C2)OC(=CC3=O)C4=CC=CC=C4)O)O)C(=O)[O-])O.[Zn+2]

InChI

InChI=1S/C21H16O10.C2H4O2.Zn/c22-10-7-13(9-4-2-1-3-5-9)29-14-8-15(17(25)18(26)16(10)14)30-21-12(24)6-11(23)19(31-21)20(27)28;1-2(3)4;/h1-5,7-8,11,19,23-26H,6H2,(H,27,28);1H3,(H,3,4);/q;;+2/p-2/t11-,19-;;/m0../s1