4-(5-carboxy-7-methoxy-6-methyl-1,3-benzodioxol-4-yl)-7-methoxy-6-methyl-1,3-benzodioxole-5-carboxylic acid

Systemtic Name: 4-(5-carboxy-7-methoxy-6-methyl-1,3-benzodioxol-4-yl)-7-methoxy-6-methyl-1,3-benzodioxole-5-carboxylic acid Openeye Name: 4-(5-carboxy-7-methoxy-6-methyl-1,3-benzodioxol-4-yl)-7-methoxy-6-methyl-1,3-benzodioxole-5-carboxylic acid CAS Name: 4-(5-carboxy-7-methoxy-6-methyl-1,3-benzodioxol-4-yl)-7-methoxy-6-methyl-1,3-benzodioxole-5-carboxylic acid IUPAC Name: 4-(5-carboxy-7-methoxy-6-methyl-1,3-benzodioxol-4-yl)-7-methoxy-6-methyl-1,3-benzodioxole-5-carboxylic acid Traditional Name: 4-(5-carboxy-7-methoxy-6-methyl-1,3-benzodioxol-4-yl)-7-methoxy-6-methyl-piperonylic acid Formula: C20H18O10 MolecularWeight: 418.35092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C(=C1C(=O)O)C3=C(C(=C(C4=C3OCO4)OC)C)C(=O)O)OCO2)OC

Isomeric SMILES

CC1=C(C2=C(C(=C1C(=O)O)C3=C(C(=C(C4=C3OCO4)OC)C)C(=O)O)OCO2)OC

InChI

InChI=1S/C20H18O10/c1-7-9(19(21)22)11(15-17(13(7)25-3)29-5-27-15)12-10(20(23)24)8(2)14(26-4)18-16(12)28-6-30-18/h5-6H2,1-4H3,(H,21,22)(H,23,24)