methyl 4-butan-2-yl-3-methylsulfonyl-benzoate

Systemtic Name: methyl 4-butan-2-yl-3-methylsulfonyl-benzoate Openeye Name: methyl 3-methylsulfonyl-4-sec-butyl-benzoate CAS Name: 4-butan-2-yl-3-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-butan-2-yl-3-methylsulfonylbenzoate Traditional Name: 3-mesyl-4-sec-butyl-benzoic acid methyl ester Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O4S/c1-5-9(2)11-7-6-10(13(14)17-3)8-12(11)18(4,15)16/h6-9H,5H2,1-4H3