methyl 2,4-diethyl-5-methylsulfonyl-benzoate

Systemtic Name: methyl 2,4-diethyl-5-methylsulfonyl-benzoate Openeye Name: methyl 2,4-diethyl-5-methylsulfonyl-benzoate CAS Name: 2,4-diethyl-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 2,4-diethyl-5-methylsulfonylbenzoate Traditional Name: 2,4-diethyl-5-mesyl-benzoic acid methyl ester Formula: C13H18O4S MolecularWeight: 270.34462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1C(=O)OC)S(=O)(=O)C)CC

Isomeric SMILES

CCC1=CC(=C(C=C1C(=O)OC)S(=O)(=O)C)CC

InChI

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