[3-[2,4-bis(chloranyl)-6-methylsulfonyloxy-3-oxidanyl-phenyl]-3-methyl-butyl] methanesulfonate

Systemtic Name: [3-[2,4-bis(chloranyl)-6-methylsulfonyloxy-3-oxidanyl-phenyl]-3-methyl-butyl] methanesulfonate Openeye Name: [3-(2,4-dichloro-3-hydroxy-6-methylsulfonyloxy-phenyl)-3-methyl-butyl] methanesulfonate CAS Name: methanesulfonic acid [3-(2,4-dichloro-3-hydroxy-6-methylsulfonyloxyphenyl)-3-methylbutyl] ester IUPAC Name: [3-(2,4-dichloro-3-hydroxy-6-methylsulfonyloxyphenyl)-3-methylbutyl] methanesulfonate Traditional Name: methanesulfonic acid [3-(2,4-dichloro-3-hydroxy-6-methylsulfonyloxy-phenyl)-3-methyl-butyl] ester Formula: C13H18Cl2O7S2 MolecularWeight: 421.31382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCOS(=O)(=O)C)C1=C(C(=C(C=C1OS(=O)(=O)C)Cl)O)Cl

Isomeric SMILES

CC(C)(CCOS(=O)(=O)C)C1=C(C(=C(C=C1OS(=O)(=O)C)Cl)O)Cl

InChI

InChI=1S/C13H18Cl2O7S2/c1-13(2,5-6-21-23(3,17)18)10-9(22-24(4,19)20)7-8(14)12(16)11(10)15/h7,16H,5-6H2,1-4H3