methyl 5-chloranylsulfonyl-2-iodanyl-3-methyl-benzoate

Systemtic Name: methyl 5-chloranylsulfonyl-2-iodanyl-3-methyl-benzoate Openeye Name: methyl 5-chlorosulfonyl-2-iodo-3-methyl-benzoate CAS Name: 5-chlorosulfonyl-2-iodo-3-methylbenzoic acid methyl ester IUPAC Name: methyl 5-chlorosulfonyl-2-iodo-3-methylbenzoate Traditional Name: 5-chlorosulfonyl-2-iodo-3-methyl-benzoic acid methyl ester Formula: C9H8ClIO4S MolecularWeight: 374.57989

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)S(=O)(=O)Cl)C(=O)OC)I

Isomeric SMILES

CC1=C(C(=CC(=C1)S(=O)(=O)Cl)C(=O)OC)I

InChI

InChI=1S/C9H8ClIO4S/c1-5-3-6(16(10,13)14)4-7(8(5)11)9(12)15-2/h3-4H,1-2H3