2-chloranyl-4-methylsulfonyl-3-propan-2-yloxycarbonyl-benzoic acid

Systemtic Name: 2-chloranyl-4-methylsulfonyl-3-propan-2-yloxycarbonyl-benzoic acid Openeye Name: 2-chloro-3-isopropoxycarbonyl-4-methylsulfonyl-benzoic acid CAS Name: 2-chloro-4-methylsulfonyl-3-[oxo(propan-2-yloxy)methyl]benzoic acid IUPAC Name: 2-chloro-4-methylsulfonyl-3-propan-2-yloxycarbonylbenzoic acid Traditional Name: 2-chloro-3-isopropoxycarbonyl-4-mesyl-benzoic acid Formula: C12H13ClO6S MolecularWeight: 320.74602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(C=CC(=C1Cl)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CC(C)OC(=O)C1=C(C=CC(=C1Cl)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C12H13ClO6S/c1-6(2)19-12(16)9-8(20(3,17)18)5-4-7(10(9)13)11(14)15/h4-6H,1-3H3,(H,14,15)