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

Systemtic Name: 3,5-bis(chloranyl)-2-(2-methoxy-6-methoxycarbonyl-4-oxidanyl-cyclohexyl)oxy-4-methyl-6-oxidanyl-benzoic acid Openeye Name: 3,5-dichloro-2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonyl-cyclohexoxy)-4-methyl-benzoic acid CAS Name: 3,5-dichloro-2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylcyclohexyl)oxy-4-methylbenzoic acid IUPAC Name: 3,5-dichloro-2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylcyclohexyl)oxy-4-methylbenzoic acid Traditional Name: 2-(2-carbomethoxy-4-hydroxy-6-methoxy-cyclohexoxy)-3,5-dichloro-6-hydroxy-4-methyl-benzoic acid Formula: C17H20Cl2O8 MolecularWeight: 423.2419

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1Cl)OC2C(CC(CC2OC)O)C(=O)OC)C(=O)O)O)Cl

Isomeric SMILES

CC1=C(C(=C(C(=C1Cl)OC2C(CC(CC2OC)O)C(=O)OC)C(=O)O)O)Cl

InChI

InChI=1S/C17H20Cl2O8/c1-6-11(18)13(21)10(16(22)23)15(12(6)19)27-14-8(17(24)26-3)4-7(20)5-9(14)25-2/h7-9,14,20-21H,4-5H2,1-3H3,(H,22,23)