methyl 4-(2-methylpropyl)-3-methylsulfonyl-benzoate

Systemtic Name: methyl 4-(2-methylpropyl)-3-methylsulfonyl-benzoate Openeye Name: methyl 4-isobutyl-3-methylsulfonyl-benzoate CAS Name: 4-(2-methylpropyl)-3-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-(2-methylpropyl)-3-methylsulfonylbenzoate Traditional Name: 4-isobutyl-3-mesyl-benzoic acid methyl ester Formula: C13H18O4S MolecularWeight: 270.34462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O4S/c1-9(2)7-10-5-6-11(13(14)17-3)8-12(10)18(4,15)16/h5-6,8-9H,7H2,1-4H3