6-(6-carboxy-2,3,4-trimethoxy-phenyl)-7-methoxy-1,3-benzodioxole-5-carboxylic acid

Systemtic Name: 6-(6-carboxy-2,3,4-trimethoxy-phenyl)-7-methoxy-1,3-benzodioxole-5-carboxylic acid Openeye Name: 6-(6-carboxy-2,3,4-trimethoxy-phenyl)-7-methoxy-1,3-benzodioxole-5-carboxylic acid CAS Name: 6-(6-carboxy-2,3,4-trimethoxyphenyl)-7-methoxy-1,3-benzodioxole-5-carboxylic acid IUPAC Name: 6-(6-carboxy-2,3,4-trimethoxyphenyl)-7-methoxy-1,3-benzodioxole-5-carboxylic acid Traditional Name: 6-(6-carboxy-2,3,4-trimethoxy-phenyl)-7-methoxy-piperonylic acid Formula: C19H18O10 MolecularWeight: 406.34022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)O)C2=C(C3=C(C=C2C(=O)O)OCO3)OC)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)O)C2=C(C3=C(C=C2C(=O)O)OCO3)OC)OC)OC

InChI

InChI=1S/C19H18O10/c1-24-10-5-8(18(20)21)12(16(26-3)14(10)25-2)13-9(19(22)23)6-11-15(17(13)27-4)29-7-28-11/h5-6H,7H2,1-4H3,(H,20,21)(H,22,23)