methyl 4-chloranyl-2-methyl-5-(2-methyl-1-oxidanyl-propan-2-yl)sulfonyl-benzoate

Systemtic Name: methyl 4-chloranyl-2-methyl-5-(2-methyl-1-oxidanyl-propan-2-yl)sulfonyl-benzoate Openeye Name: methyl 4-chloro-5-(2-hydroxy-1,1-dimethyl-ethyl)sulfonyl-2-methyl-benzoate CAS Name: 4-chloro-5-(1-hydroxy-2-methylpropan-2-yl)sulfonyl-2-methylbenzoic acid methyl ester IUPAC Name: methyl 4-chloro-5-(1-hydroxy-2-methylpropan-2-yl)sulfonyl-2-methylbenzoate Traditional Name: 4-chloro-5-(2-hydroxy-1,1-dimethyl-ethyl)sulfonyl-2-methyl-benzoic acid methyl ester Formula: C13H17ClO5S MolecularWeight: 320.78908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)OC)S(=O)(=O)C(C)(C)CO)Cl

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)OC)S(=O)(=O)C(C)(C)CO)Cl

InChI

InChI=1S/C13H17ClO5S/c1-8-5-10(14)11(6-9(8)12(16)19-4)20(17,18)13(2,3)7-15/h5-6,15H,7H2,1-4H3