potassium sodium (2R)-3-[3,4-bis(oxidanyl)phenyl]-2-[[(1R,2S)-1-[3,4-bis(oxidanyl)phenyl]-3-[(2R)-3-[3,4-bis(oxidanyl)phenyl]-1-oxidanidyl-1-oxidanylidene-propan-2-yl]oxycarbonyl-6,7-bis(oxidanyl)-1,2-dihydronaphthalen-2-yl]carbonyloxy]propanoate

Systemtic Name: potassium sodium (2R)-3-[3,4-bis(oxidanyl)phenyl]-2-[[(1R,2S)-1-[3,4-bis(oxidanyl)phenyl]-3-[(2R)-3-[3,4-bis(oxidanyl)phenyl]-1-oxidanidyl-1-oxidanylidene-propan-2-yl]oxycarbonyl-6,7-bis(oxidanyl)-1,2-dihydronaphthalen-2-yl]carbonyloxy]propanoate Openeye Name: potassium sodium (2R)-3-(3,4-dihydroxyphenyl)-2-[(1R,2S)-1-(3,4-dihydroxyphenyl)-3-[(1R)-1-[(3,4-dihydroxyphenyl)methyl]-2-oxido-2-oxo-ethoxy]carbonyl-6,7-dihydroxy-1,2-dihydronaphthalene-2-carbonyl]oxy-propanoate CAS Name: potassium sodium (2R)-3-(3,4-dihydroxyphenyl)-2-[[(1R,2S)-1-(3,4-dihydroxyphenyl)-3-[[(2R)-3-(3,4-dihydroxyphenyl)-1-oxido-1-oxopropan-2-yl]oxy-oxomethyl]-6,7-dihydroxy-1,2-dihydronaphthalen-2-yl]-oxomethoxy]propanoate IUPAC Name: potassium sodium (2R)-3-(3,4-dihydroxyphenyl)-2-[(1R,2S)-1-(3,4-dihydroxyphenyl)-3-[(2R)-3-(3,4-dihydroxyphenyl)-1-oxido-1-oxopropan-2-yl]oxycarbonyl-6,7-dihydroxy-1,2-dihydronaphthalene-2-carbonyl]oxypropanoate Traditional Name: potassium sodium (2R)-3-(3,4-dihydroxyphenyl)-2-[(1R,2S)-1-(3,4-dihydroxyphenyl)-6,7-dihydroxy-3-[(1R)-2-keto-2-oxido-1-protocatechuyl-ethoxy]carbonyl-1,2-dihydronaphthalene-2-carbonyl]oxy-propionate Formula: C36H28KNaO16 MolecularWeight: 778.68599

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC(C(=O)[O-])OC(=O)C2C(C3=CC(=C(C=C3C=C2C(=O)OC(CC4=CC(=C(C=C4)O)O)C(=O)[O-])O)O)C5=CC(=C(C=C5)O)O)O)O.[Na+].[K+]

Isomeric SMILES

C1=CC(=C(C=C1C[C@H](C(=O)[O-])OC(=O)[C@H]2[C@@H](C3=CC(=C(C=C3C=C2C(=O)O[C@H](CC4=CC(=C(C=C4)O)O)C(=O)[O-])O)O)C5=CC(=C(C=C5)O)O)O)O.[Na+].[K+]

InChI

InChI=1S/C36H30O16.K.Na/c37-21-4-1-15(7-24(21)40)9-29(33(45)46)51-35(49)20-11-18-13-27(43)28(44)14-19(18)31(17-3-6-23(39)26(42)12-17)32(20)36(50)52-30(34(47)48)10-16-2-5-22(38)25(41)8-16;;/h1-8,11-14,29-32,37-44H,9-10H2,(H,45,46)(H,47,48);;/q;2*+1/p-2/t29-,30-,31-,32-;;/m1../s1