7-(hydroxymethyl)-5-(3-methoxyphenyl)-8-oxidanyl-benzo[f][1,3]benzodioxole-6-carboxylic acid

Systemtic Name: 7-(hydroxymethyl)-5-(3-methoxyphenyl)-8-oxidanyl-benzo[f][1,3]benzodioxole-6-carboxylic acid Openeye Name: 8-hydroxy-7-(hydroxymethyl)-5-(3-methoxyphenyl)benzo[f][1,3]benzodioxole-6-carboxylic acid CAS Name: 8-hydroxy-7-(hydroxymethyl)-5-(3-methoxyphenyl)-6-benzo[f][1,3]benzodioxolecarboxylic acid IUPAC Name: 8-hydroxy-7-(hydroxymethyl)-5-(3-methoxyphenyl)benzo[f][1,3]benzodioxole-6-carboxylic acid Traditional Name: 8-hydroxy-5-(3-methoxyphenyl)-7-methylol-benzo[f][1,3]benzodioxole-6-carboxylic acid Formula: C20H16O7 MolecularWeight: 368.33684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=C(C(=C(C3=CC4=C(C=C32)OCO4)O)CO)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C2=C(C(=C(C3=CC4=C(C=C32)OCO4)O)CO)C(=O)O

InChI

InChI=1S/C20H16O7/c1-25-11-4-2-3-10(5-11)17-12-6-15-16(27-9-26-15)7-13(12)19(22)14(8-21)18(17)20(23)24/h2-7,21-22H,8-9H2,1H3,(H,23,24)