methyl 8-oxidanyl-5-(3,4,5-trimethoxyphenyl)benzo[f][1,3]benzodioxole-6-carboxylate

Systemtic Name: methyl 8-oxidanyl-5-(3,4,5-trimethoxyphenyl)benzo[f][1,3]benzodioxole-6-carboxylate Openeye Name: methyl 8-hydroxy-5-(3,4,5-trimethoxyphenyl)benzo[f][1,3]benzodioxole-6-carboxylate CAS Name: 8-hydroxy-5-(3,4,5-trimethoxyphenyl)-6-benzo[f][1,3]benzodioxolecarboxylic acid methyl ester IUPAC Name: methyl 8-hydroxy-5-(3,4,5-trimethoxyphenyl)benzo[f][1,3]benzodioxole-6-carboxylate Traditional Name: 8-hydroxy-5-(3,4,5-trimethoxyphenyl)benzo[f][1,3]benzodioxole-6-carboxylic acid methyl ester Formula: C22H20O8 MolecularWeight: 412.3894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(C=C(C3=CC4=C(C=C32)OCO4)O)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(C=C(C3=CC4=C(C=C32)OCO4)O)C(=O)OC

InChI

InChI=1S/C22H20O8/c1-25-18-5-11(6-19(26-2)21(18)27-3)20-13-9-17-16(29-10-30-17)8-12(13)15(23)7-14(20)22(24)28-4/h5-9,23H,10H2,1-4H3