methyl 3-chloranylsulfonyl-4,5-dimethyl-benzoate

Systemtic Name: methyl 3-chloranylsulfonyl-4,5-dimethyl-benzoate Openeye Name: methyl 3-chlorosulfonyl-4,5-dimethyl-benzoate CAS Name: 3-chlorosulfonyl-4,5-dimethylbenzoic acid methyl ester IUPAC Name: methyl 3-chlorosulfonyl-4,5-dimethylbenzoate Traditional Name: 3-chlorosulfonyl-4,5-dimethyl-benzoic acid methyl ester Formula: C10H11ClO4S MolecularWeight: 262.70994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11ClO4S/c1-6-4-8(10(12)15-3)5-9(7(6)2)16(11,13)14/h4-5H,1-3H3