6-[3-oxidanylidene-3-(3,4,5-trimethoxyphenyl)propyl]-1,3-benzodioxole-5-carboxylic acid

Systemtic Name: 6-[3-oxidanylidene-3-(3,4,5-trimethoxyphenyl)propyl]-1,3-benzodioxole-5-carboxylic acid Openeye Name: 6-[3-oxo-3-(3,4,5-trimethoxyphenyl)propyl]-1,3-benzodioxole-5-carboxylic acid CAS Name: 6-[3-oxo-3-(3,4,5-trimethoxyphenyl)propyl]-1,3-benzodioxole-5-carboxylic acid IUPAC Name: 6-[3-oxo-3-(3,4,5-trimethoxyphenyl)propyl]-1,3-benzodioxole-5-carboxylic acid Traditional Name: 6-[3-keto-3-(3,4,5-trimethoxyphenyl)propyl]-piperonylic acid Formula: C20H20O8 MolecularWeight: 388.368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)CCC2=CC3=C(C=C2C(=O)O)OCO3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)CCC2=CC3=C(C=C2C(=O)O)OCO3

InChI

InChI=1S/C20H20O8/c1-24-17-7-12(8-18(25-2)19(17)26-3)14(21)5-4-11-6-15-16(28-10-27-15)9-13(11)20(22)23/h6-9H,4-5,10H2,1-3H3,(H,22,23)