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

Systemtic Name: methyl 2-ethyl-3-methylsulfonyl-4-propyl-benzoate Openeye Name: methyl 2-ethyl-3-methylsulfonyl-4-propyl-benzoate CAS Name: 2-ethyl-3-methylsulfonyl-4-propylbenzoic acid methyl ester IUPAC Name: methyl 2-ethyl-3-methylsulfonyl-4-propylbenzoate Traditional Name: 2-ethyl-3-mesyl-4-propyl-benzoic acid methyl ester Formula: C14H20O4S MolecularWeight: 284.3712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O4S/c1-5-7-10-8-9-12(14(15)18-3)11(6-2)13(10)19(4,16)17/h8-9H,5-7H2,1-4H3