5-[4-(4-hydroxyphenyl)-3,6-dimethoxy-2-oxidanyl-phenyl]-3-oxidanyl-2-(pyridin-2-ylmethoxy)benzoic acid

Systemtic Name: 5-[4-(4-hydroxyphenyl)-3,6-dimethoxy-2-oxidanyl-phenyl]-3-oxidanyl-2-(pyridin-2-ylmethoxy)benzoic acid Openeye Name: 3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxy-phenyl]-2-(2-pyridylmethoxy)benzoic acid CAS Name: 3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(2-pyridinylmethoxy)benzoic acid IUPAC Name: 3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(pyridin-2-ylmethoxy)benzoic acid Traditional Name: 3-hydroxy-5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxy-phenyl]-2-(2-pyridylmethoxy)benzoic acid Formula: C27H23NO8 MolecularWeight: 489.47342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C2=CC=C(C=C2)O)OC)O)C3=CC(=C(C(=C3)O)OCC4=CC=CC=N4)C(=O)O

Isomeric SMILES

COC1=C(C(=C(C(=C1)C2=CC=C(C=C2)O)OC)O)C3=CC(=C(C(=C3)O)OCC4=CC=CC=N4)C(=O)O

InChI

InChI=1S/C27H23NO8/c1-34-22-13-19(15-6-8-18(29)9-7-15)26(35-2)24(31)23(22)16-11-20(27(32)33)25(21(30)12-16)36-14-17-5-3-4-10-28-17/h3-13,29-31H,14H2,1-2H3,(H,32,33)