3,5-bis(chloranyl)-4-methoxy-2-(2-methoxy-6-methoxycarbonyl-4-oxidanyl-phenoxy)-6-oxidanyl-benzoic acid

Systemtic Name: 3,5-bis(chloranyl)-4-methoxy-2-(2-methoxy-6-methoxycarbonyl-4-oxidanyl-phenoxy)-6-oxidanyl-benzoic acid Openeye Name: 3,5-dichloro-2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonyl-phenoxy)-4-methoxy-benzoic acid CAS Name: 3,5-dichloro-2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methoxybenzoic acid IUPAC Name: 3,5-dichloro-2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methoxybenzoic acid Traditional Name: 2-(2-carbomethoxy-4-hydroxy-6-methoxy-phenoxy)-3,5-dichloro-6-hydroxy-4-methoxy-benzoic acid Formula: C17H14Cl2O9 MolecularWeight: 433.19366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)O)C(=O)OC)OC2=C(C(=C(C(=C2C(=O)O)O)Cl)OC)Cl

Isomeric SMILES

COC1=C(C(=CC(=C1)O)C(=O)OC)OC2=C(C(=C(C(=C2C(=O)O)O)Cl)OC)Cl

InChI

InChI=1S/C17H14Cl2O9/c1-25-8-5-6(20)4-7(17(24)27-3)13(8)28-14-9(16(22)23)12(21)10(18)15(26-2)11(14)19/h4-5,20-21H,1-3H3,(H,22,23)