methyl 4-cyclobutyl-2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: methyl 4-cyclobutyl-2-methyl-5-methylsulfonyl-benzoate Openeye Name: methyl 4-cyclobutyl-2-methyl-5-methylsulfonyl-benzoate CAS Name: 4-cyclobutyl-2-methyl-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-cyclobutyl-2-methyl-5-methylsulfonylbenzoate Traditional Name: 4-cyclobutyl-5-mesyl-2-methyl-benzoic acid methyl ester Formula: C14H18O4S MolecularWeight: 282.35532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)OC)S(=O)(=O)C)C2CCC2

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)OC)S(=O)(=O)C)C2CCC2

InChI

InChI=1S/C14H18O4S/c1-9-7-12(10-5-4-6-10)13(19(3,16)17)8-11(9)14(15)18-2/h7-8,10H,4-6H2,1-3H3