(2S,3R)-2-[3,4-bis(oxidanyl)phenyl]-6-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid

Systemtic Name: (2S,3R)-2-[3,4-bis(oxidanyl)phenyl]-6-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Openeye Name: (2S,3R)-2-(3,4-dihydroxyphenyl)-6-[(E)-3-hydroxy-3-oxo-prop-1-enyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid CAS Name: (2S,3R)-2-(3,4-dihydroxyphenyl)-6-[(E)-3-hydroxy-3-oxoprop-1-enyl]-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid IUPAC Name: (2S,3R)-2-(3,4-dihydroxyphenyl)-6-[(E)-3-hydroxy-3-oxoprop-1-enyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Traditional Name: (2S,3R)-2-(3,4-dihydroxyphenyl)-6-[(E)-3-hydroxy-3-keto-prop-1-enyl]-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid Formula: C18H14O8 MolecularWeight: 358.29896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C=CC(=O)O)OC(C(O2)C3=CC(=C(C=C3)O)O)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1/C=C/C(=O)O)O[C@H]([C@@H](O2)C3=CC(=C(C=C3)O)O)C(=O)O

InChI

InChI=1S/C18H14O8/c19-11-4-3-10(8-12(11)20)16-17(18(23)24)26-14-7-9(2-6-15(21)22)1-5-13(14)25-16/h1-8,16-17,19-20H,(H,21,22)(H,23,24)/b6-2+/t16-,17+/m0/s1