methyl 5-tert-butyl-3-methylsulfonyl-2-oxidanyl-benzoate

Systemtic Name: methyl 5-tert-butyl-3-methylsulfonyl-2-oxidanyl-benzoate Openeye Name: methyl 5-tert-butyl-2-hydroxy-3-methylsulfonyl-benzoate CAS Name: 5-tert-butyl-2-hydroxy-3-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 5-tert-butyl-2-hydroxy-3-methylsulfonylbenzoate Traditional Name: 5-tert-butyl-2-hydroxy-3-mesyl-benzoic acid methyl ester Formula: C13H18O5S MolecularWeight: 286.34402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)C(=O)OC)O)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)C(=O)OC)O)S(=O)(=O)C

InChI

InChI=1S/C13H18O5S/c1-13(2,3)8-6-9(12(15)18-4)11(14)10(7-8)19(5,16)17/h6-7,14H,1-5H3