5-[2-(hydroxymethyl)phenoxy]carbonyl-7,7a-dimethoxy-4-phenyl-1,3-benzodioxole-5-carboxylic acid

Systemtic Name: 5-[2-(hydroxymethyl)phenoxy]carbonyl-7,7a-dimethoxy-4-phenyl-1,3-benzodioxole-5-carboxylic acid Openeye Name: 5-[2-(hydroxymethyl)phenoxy]carbonyl-7,7a-dimethoxy-4-phenyl-1,3-benzodioxole-5-carboxylic acid CAS Name: 5-[[2-(hydroxymethyl)phenoxy]-oxomethyl]-7,7a-dimethoxy-4-phenyl-1,3-benzodioxole-5-carboxylic acid IUPAC Name: 5-[2-(hydroxymethyl)phenoxy]carbonyl-7,7a-dimethoxy-4-phenyl-1,3-benzodioxole-5-carboxylic acid Traditional Name: 7,7a-dimethoxy-5-(2-methylolphenoxy)carbonyl-4-phenyl-piperonylic acid Formula: C24H22O9 MolecularWeight: 454.42608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(C(=C2C1(OCO2)OC)C3=CC=CC=C3)(C(=O)O)C(=O)OC4=CC=CC=C4CO

Isomeric SMILES

COC1=CC(C(=C2C1(OCO2)OC)C3=CC=CC=C3)(C(=O)O)C(=O)OC4=CC=CC=C4CO

InChI

InChI=1S/C24H22O9/c1-29-18-12-23(21(26)27,22(28)33-17-11-7-6-10-16(17)13-25)19(15-8-4-3-5-9-15)20-24(18,30-2)32-14-31-20/h3-12,25H,13-14H2,1-2H3,(H,26,27)