methyl 3-methylsulfonyl-4-prop-1-en-2-yl-benzoate

Systemtic Name: methyl 3-methylsulfonyl-4-prop-1-en-2-yl-benzoate Openeye Name: methyl 4-isopropenyl-3-methylsulfonyl-benzoate CAS Name: 4-(1-methylethenyl)-3-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 3-methylsulfonyl-4-prop-1-en-2-ylbenzoate Traditional Name: 4-isopropenyl-3-mesyl-benzoic acid methyl ester Formula: C12H14O4S MolecularWeight: 254.30216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O4S/c1-8(2)10-6-5-9(12(13)16-3)7-11(10)17(4,14)15/h5-7H,1H2,2-4H3