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

Systemtic Name: 4-[5-[2-(hydroxymethyl)phenoxy]carbonyl-1,3-benzodioxol-4-yl]-1,3-benzodioxole-5-carboxylic acid Openeye Name: 4-[5-[2-(hydroxymethyl)phenoxy]carbonyl-1,3-benzodioxol-4-yl]-1,3-benzodioxole-5-carboxylic acid CAS Name: 4-[5-[[2-(hydroxymethyl)phenoxy]-oxomethyl]-1,3-benzodioxol-4-yl]-1,3-benzodioxole-5-carboxylic acid IUPAC Name: 4-[5-[2-(hydroxymethyl)phenoxy]carbonyl-1,3-benzodioxol-4-yl]-1,3-benzodioxole-5-carboxylic acid Traditional Name: 4-[5-(2-methylolphenoxy)carbonyl-1,3-benzodioxol-4-yl]-piperonylic acid Formula: C23H16O9 MolecularWeight: 436.36774

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=C(C=C2)C(=O)O)C3=C(C=CC4=C3OCO4)C(=O)OC5=CC=CC=C5CO

Isomeric SMILES

C1OC2=C(O1)C(=C(C=C2)C(=O)O)C3=C(C=CC4=C3OCO4)C(=O)OC5=CC=CC=C5CO

InChI

InChI=1S/C23H16O9/c24-9-12-3-1-2-4-15(12)32-23(27)14-6-8-17-21(31-11-29-17)19(14)18-13(22(25)26)5-7-16-20(18)30-10-28-16/h1-8,24H,9-11H2,(H,25,26)