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

Systemtic Name: 4-(6-carboxy-2-ethoxy-3,4-dimethoxy-phenyl)-7-methoxy-1,3-benzodioxole-5-carboxylic acid Openeye Name: 4-(6-carboxy-2-ethoxy-3,4-dimethoxy-phenyl)-7-methoxy-1,3-benzodioxole-5-carboxylic acid CAS Name: 4-(6-carboxy-2-ethoxy-3,4-dimethoxyphenyl)-7-methoxy-1,3-benzodioxole-5-carboxylic acid IUPAC Name: 4-(6-carboxy-2-ethoxy-3,4-dimethoxyphenyl)-7-methoxy-1,3-benzodioxole-5-carboxylic acid Traditional Name: 4-(6-carboxy-2-ethoxy-3,4-dimethoxy-phenyl)-7-methoxy-piperonylic acid Formula: C20H20O10 MolecularWeight: 420.3668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1OC)OC)C(=O)O)C2=C3C(=C(C=C2C(=O)O)OC)OCO3

Isomeric SMILES

CCOC1=C(C(=CC(=C1OC)OC)C(=O)O)C2=C3C(=C(C=C2C(=O)O)OC)OCO3

InChI

InChI=1S/C20H20O10/c1-5-28-17-13(9(19(21)22)6-11(25-2)15(17)27-4)14-10(20(23)24)7-12(26-3)16-18(14)30-8-29-16/h6-7H,5,8H2,1-4H3,(H,21,22)(H,23,24)