2,3-dimethoxy-6-(5-phenylmethoxybenzo[f][1,3]benzodioxol-6-yl)benzoic acid

Systemtic Name: 2,3-dimethoxy-6-(5-phenylmethoxybenzo[f][1,3]benzodioxol-6-yl)benzoic acid Openeye Name: 6-(5-benzyloxybenzo[f][1,3]benzodioxol-6-yl)-2,3-dimethoxy-benzoic acid CAS Name: 2,3-dimethoxy-6-(5-phenylmethoxy-6-benzo[f][1,3]benzodioxolyl)benzoic acid IUPAC Name: 2,3-dimethoxy-6-(5-phenylmethoxybenzo[f][1,3]benzodioxol-6-yl)benzoic acid Traditional Name: 6-(5-benzoxybenzo[f][1,3]benzodioxol-6-yl)-2,3-dimethoxy-benzoic acid Formula: C27H22O7 MolecularWeight: 458.45938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C2=C(C3=CC4=C(C=C3C=C2)OCO4)OCC5=CC=CC=C5)C(=O)O)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C2=C(C3=CC4=C(C=C3C=C2)OCO4)OCC5=CC=CC=C5)C(=O)O)OC

InChI

InChI=1S/C27H22O7/c1-30-21-11-10-18(24(27(28)29)26(21)31-2)19-9-8-17-12-22-23(34-15-33-22)13-20(17)25(19)32-14-16-6-4-3-5-7-16/h3-13H,14-15H2,1-2H3,(H,28,29)