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

Systemtic Name: 3-methylsulfonyl-4-propan-2-yl-benzoate Openeye Name: 4-isopropyl-3-methylsulfonyl-benzoate CAS Name: 3-methylsulfonyl-4-propan-2-ylbenzoate IUPAC Name: 3-methylsulfonyl-4-propan-2-ylbenzoate Traditional Name: 4-isopropyl-3-mesyl-benzoate Formula: C11H13O4S- MolecularWeight: 241.28352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C(C=C1)C(=O)[O-])S(=O)(=O)C

Isomeric SMILES

CC(C)C1=C(C=C(C=C1)C(=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C11H14O4S/c1-7(2)9-5-4-8(11(12)13)6-10(9)16(3,14)15/h4-7H,1-3H3,(H,12,13)/p-1