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

Systemtic Name: 7-methyl-8-oxidanyl-5-(3,4,5-trimethoxyphenyl)benzo[f][1,3]benzodioxole-6-carboxylic acid Openeye Name: 8-hydroxy-7-methyl-5-(3,4,5-trimethoxyphenyl)benzo[f][1,3]benzodioxole-6-carboxylic acid CAS Name: 8-hydroxy-7-methyl-5-(3,4,5-trimethoxyphenyl)-6-benzo[f][1,3]benzodioxolecarboxylic acid IUPAC Name: 8-hydroxy-7-methyl-5-(3,4,5-trimethoxyphenyl)benzo[f][1,3]benzodioxole-6-carboxylic acid Traditional Name: 8-hydroxy-7-methyl-5-(3,4,5-trimethoxyphenyl)benzo[f][1,3]benzodioxole-6-carboxylic acid Formula: C22H20O8 MolecularWeight: 412.3894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC3=C(C=C2C(=C1C(=O)O)C4=CC(=C(C(=C4)OC)OC)OC)OCO3)O

Isomeric SMILES

CC1=C(C2=CC3=C(C=C2C(=C1C(=O)O)C4=CC(=C(C(=C4)OC)OC)OC)OCO3)O

InChI

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