(2R,3S)-2-[3,4-bis(oxidanyl)phenyl]-3,4-dihydro-2H-chromene-3,5,7-triol; 3,4,5-tris(oxidanyl)benzoate

Systemtic Name: (2R,3S)-2-[3,4-bis(oxidanyl)phenyl]-3,4-dihydro-2H-chromene-3,5,7-triol; 3,4,5-tris(oxidanyl)benzoate Openeye Name: (2R,3S)-2-(3,4-dihydroxyphenyl)chromane-3,5,7-triol; 3,4,5-trihydroxybenzoate CAS Name: (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol; 3,4,5-trihydroxybenzoate IUPAC Name: (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol; 3,4,5-trihydroxybenzoate Traditional Name: (2R,3S)-2-(3,4-dihydroxyphenyl)chroman-3,5,7-triol; 3,4,5-trihydroxybenzoate Formula: C22H19O11- MolecularWeight: 459.37966

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O.C1=C(C=C(C(=C1O)O)O)C(=O)[O-]

Isomeric SMILES

C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O.C1=C(C=C(C(=C1O)O)O)C(=O)[O-]

InChI

InChI=1S/C15H14O6.C7H6O5/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7;8-4-1-3(7(11)12)2-5(9)6(4)10/h1-5,13,15-20H,6H2;1-2,8-10H,(H,11,12)/p-1/t13-,15+;/m0./s1