6-(6-carboxy-2,3-dimethoxy-phenyl)-7,7a-dimethoxy-7H-1,3-benzodioxole-5-carboxylic acid

Systemtic Name: 6-(6-carboxy-2,3-dimethoxy-phenyl)-7,7a-dimethoxy-7H-1,3-benzodioxole-5-carboxylic acid Openeye Name: 6-(6-carboxy-2,3-dimethoxy-phenyl)-7,7a-dimethoxy-7H-1,3-benzodioxole-5-carboxylic acid CAS Name: 6-(6-carboxy-2,3-dimethoxyphenyl)-7,7a-dimethoxy-7H-1,3-benzodioxole-5-carboxylic acid IUPAC Name: 6-(6-carboxy-2,3-dimethoxyphenyl)-7,7a-dimethoxy-7H-1,3-benzodioxole-5-carboxylic acid Traditional Name: 6-(6-carboxy-2,3-dimethoxy-phenyl)-7,7a-dimethoxy-7H-1,3-benzodioxole-5-carboxylic acid Formula: C19H20O10 MolecularWeight: 408.3561

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(=C(C=C2C1(OCO2)OC)C(=O)O)C3=C(C=CC(=C3OC)OC)C(=O)O

Isomeric SMILES

COC1C(=C(C=C2C1(OCO2)OC)C(=O)O)C3=C(C=CC(=C3OC)OC)C(=O)O

InChI

InChI=1S/C19H20O10/c1-24-11-6-5-9(17(20)21)13(15(11)25-2)14-10(18(22)23)7-12-19(27-4,16(14)26-3)29-8-28-12/h5-7,16H,8H2,1-4H3,(H,20,21)(H,22,23)