methyl 2-methoxy-3-methylsulfonyl-4-propan-2-yl-benzoate

Systemtic Name: methyl 2-methoxy-3-methylsulfonyl-4-propan-2-yl-benzoate Openeye Name: methyl 4-isopropyl-2-methoxy-3-methylsulfonyl-benzoate CAS Name: 2-methoxy-3-methylsulfonyl-4-propan-2-ylbenzoic acid methyl ester IUPAC Name: methyl 2-methoxy-3-methylsulfonyl-4-propan-2-ylbenzoate Traditional Name: 4-isopropyl-3-mesyl-2-methoxy-benzoic acid methyl ester Formula: C13H18O5S MolecularWeight: 286.34402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O5S/c1-8(2)9-6-7-10(13(14)18-4)11(17-3)12(9)19(5,15)16/h6-8H,1-5H3