methyl 2-tert-butylsulfonyl-5-methyl-benzoate

Systemtic Name: methyl 2-tert-butylsulfonyl-5-methyl-benzoate Openeye Name: methyl 2-tert-butylsulfonyl-5-methyl-benzoate CAS Name: 2-tert-butylsulfonyl-5-methylbenzoic acid methyl ester IUPAC Name: methyl 2-tert-butylsulfonyl-5-methylbenzoate Traditional Name: 2-tert-butylsulfonyl-5-methyl-benzoic acid methyl ester Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)C(C)(C)C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)C(C)(C)C)C(=O)OC

InChI

InChI=1S/C13H18O4S/c1-9-6-7-11(10(8-9)12(14)17-5)18(15,16)13(2,3)4/h6-8H,1-5H3