methyl 2-methyl-5-methylsulfonyl-4-propan-2-yl-benzoate

Systemtic Name: methyl 2-methyl-5-methylsulfonyl-4-propan-2-yl-benzoate Openeye Name: methyl 4-isopropyl-2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonyl-4-propan-2-ylbenzoic acid methyl ester IUPAC Name: methyl 2-methyl-5-methylsulfonyl-4-propan-2-ylbenzoate Traditional Name: 4-isopropyl-5-mesyl-2-methyl-benzoic acid methyl ester Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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