dimethyl 2,2-bis(1,3-benzodioxol-5-ylmethyl)propanedioate

Systemtic Name: dimethyl 2,2-bis(1,3-benzodioxol-5-ylmethyl)propanedioate Openeye Name: dimethyl 2,2-bis(1,3-benzodioxol-5-ylmethyl)propanedioate CAS Name: 2,2-bis(1,3-benzodioxol-5-ylmethyl)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2,2-bis(1,3-benzodioxol-5-ylmethyl)propanedioate Traditional Name: 2,2-dipiperonylmalonic acid dimethyl ester Formula: C21H20O8 MolecularWeight: 400.3787

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC2=C(C=C1)OCO2)(CC3=CC4=C(C=C3)OCO4)C(=O)OC

Isomeric SMILES

COC(=O)C(CC1=CC2=C(C=C1)OCO2)(CC3=CC4=C(C=C3)OCO4)C(=O)OC

InChI

InChI=1S/C21H20O8/c1-24-19(22)21(20(23)25-2,9-13-3-5-15-17(7-13)28-11-26-15)10-14-4-6-16-18(8-14)29-12-27-16/h3-8H,9-12H2,1-2H3