4-(2-carboxy-4,5-dimethoxy-phenyl)-1,3-benzodioxole-5-carboxylic acid

Systemtic Name: 4-(2-carboxy-4,5-dimethoxy-phenyl)-1,3-benzodioxole-5-carboxylic acid Openeye Name: 4-(2-carboxy-4,5-dimethoxy-phenyl)-1,3-benzodioxole-5-carboxylic acid CAS Name: 4-(2-carboxy-4,5-dimethoxyphenyl)-1,3-benzodioxole-5-carboxylic acid IUPAC Name: 4-(2-carboxy-4,5-dimethoxyphenyl)-1,3-benzodioxole-5-carboxylic acid Traditional Name: 4-(2-carboxy-4,5-dimethoxy-phenyl)-piperonylic acid Formula: C17H14O8 MolecularWeight: 346.28826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C2=C(C=CC3=C2OCO3)C(=O)O)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C2=C(C=CC3=C2OCO3)C(=O)O)C(=O)O)OC

InChI

InChI=1S/C17H14O8/c1-22-12-5-9(10(17(20)21)6-13(12)23-2)14-8(16(18)19)3-4-11-15(14)25-7-24-11/h3-6H,7H2,1-2H3,(H,18,19)(H,20,21)