6-oxidanylidene-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydro-[2]benzofuro[6,5-f][1,3]benzodioxole-5a-carboxylic acid

Systemtic Name: 6-oxidanylidene-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydro-[2]benzofuro[6,5-f][1,3]benzodioxole-5a-carboxylic acid Openeye Name: 6-oxo-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydroisobenzofuro[6,5-f][1,3]benzodioxole-5a-carboxylic acid CAS Name: 6-oxo-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydroisobenzofuro[6,5-f][1,3]benzodioxole-5a-carboxylic acid IUPAC Name: 6-oxo-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydro-[2]benzofuro[6,5-f][1,3]benzodioxole-5a-carboxylic acid Traditional Name: 6-keto-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydroisobenzofuro[6,5-f][1,3]benzodioxole-5a-carboxylic acid Formula: C23H22O9 MolecularWeight: 442.41538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2C3=CC4=C(C=C3CC5C2(C(=O)OC5)C(=O)O)OCO4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2C3=CC4=C(C=C3CC5C2(C(=O)OC5)C(=O)O)OCO4

InChI

InChI=1S/C23H22O9/c1-27-17-6-12(7-18(28-2)20(17)29-3)19-14-8-16-15(31-10-32-16)5-11(14)4-13-9-30-22(26)23(13,19)21(24)25/h5-8,13,19H,4,9-10H2,1-3H3,(H,24,25)