4-[2-[2-(hydroxymethyl)phenoxy]carbonyl-4,5-dimethoxy-phenyl]-1,3-benzodioxole-5-carboxylic acid

Systemtic Name: 4-[2-[2-(hydroxymethyl)phenoxy]carbonyl-4,5-dimethoxy-phenyl]-1,3-benzodioxole-5-carboxylic acid Openeye Name: 4-[2-[2-(hydroxymethyl)phenoxy]carbonyl-4,5-dimethoxy-phenyl]-1,3-benzodioxole-5-carboxylic acid CAS Name: 4-[2-[[2-(hydroxymethyl)phenoxy]-oxomethyl]-4,5-dimethoxyphenyl]-1,3-benzodioxole-5-carboxylic acid IUPAC Name: 4-[2-[2-(hydroxymethyl)phenoxy]carbonyl-4,5-dimethoxyphenyl]-1,3-benzodioxole-5-carboxylic acid Traditional Name: 4-[4,5-dimethoxy-2-(2-methylolphenoxy)carbonyl-phenyl]-piperonylic acid Formula: C24H20O9 MolecularWeight: 452.4102

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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)OC4=CC=CC=C4CO)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C2=C(C=CC3=C2OCO3)C(=O)O)C(=O)OC4=CC=CC=C4CO)OC

InChI

InChI=1S/C24H20O9/c1-29-19-9-15(21-14(23(26)27)7-8-18-22(21)32-12-31-18)16(10-20(19)30-2)24(28)33-17-6-4-3-5-13(17)11-25/h3-10,25H,11-12H2,1-2H3,(H,26,27)