[4-[(E)-3-(2,5-dimethoxyphenyl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [4-[(E)-3-(2,5-dimethoxyphenyl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [4-[(E)-3-(2,5-dimethoxyphenyl)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [4-[(E)-3-(2,5-dimethoxyphenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-(2,5-dimethoxyphenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [4-[(E)-3-(2,5-dimethoxyphenyl)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C26H22O8 MolecularWeight: 462.44808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(=O)C=CC2=CC(=C(C=C2)OC(=O)C3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(=O)/C=C/C2=CC(=C(C=C2)OC(=O)C3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C26H22O8/c1-29-18-7-11-21(30-2)19(14-18)20(27)8-4-16-5-9-23(24(12-16)31-3)34-26(28)17-6-10-22-25(13-17)33-15-32-22/h4-14H,15H2,1-3H3/b8-4+