methyl 4-methyl-3-methylsulfonyl-2-propyl-benzoate

Systemtic Name: methyl 4-methyl-3-methylsulfonyl-2-propyl-benzoate Openeye Name: methyl 4-methyl-3-methylsulfonyl-2-propyl-benzoate CAS Name: 4-methyl-3-methylsulfonyl-2-propylbenzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-methylsulfonyl-2-propylbenzoate Traditional Name: 3-mesyl-4-methyl-2-propyl-benzoic acid methyl ester Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1S(=O)(=O)C)C)C(=O)OC

Isomeric SMILES

CCCC1=C(C=CC(=C1S(=O)(=O)C)C)C(=O)OC

InChI

InChI=1S/C13H18O4S/c1-5-6-10-11(13(14)17-3)8-7-9(2)12(10)18(4,15)16/h7-8H,5-6H2,1-4H3