methyl 2-methyl-5-methylsulfonyl-4-propyl-benzoate

Systemtic Name: methyl 2-methyl-5-methylsulfonyl-4-propyl-benzoate Openeye Name: methyl 2-methyl-5-methylsulfonyl-4-propyl-benzoate CAS Name: 2-methyl-5-methylsulfonyl-4-propylbenzoic acid methyl ester IUPAC Name: methyl 2-methyl-5-methylsulfonyl-4-propylbenzoate Traditional Name: 5-mesyl-2-methyl-4-propyl-benzoic acid methyl ester Formula: C13H18O4S MolecularWeight: 270.34462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C(=C1)C)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CCCC1=C(C=C(C(=C1)C)C(=O)OC)S(=O)(=O)C

InChI

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