(2,3,6-trimethylphenyl) 4-chloranyl-3-methylsulfonyl-benzoate

Systemtic Name: (2,3,6-trimethylphenyl) 4-chloranyl-3-methylsulfonyl-benzoate Openeye Name: (2,3,6-trimethylphenyl) 4-chloro-3-methylsulfonyl-benzoate CAS Name: 4-chloro-3-methylsulfonylbenzoic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 4-chloro-3-methylsulfonylbenzoate Traditional Name: 4-chloro-3-mesyl-benzoic acid (2,3,6-trimethylphenyl) ester Formula: C17H17ClO4S MolecularWeight: 352.83248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)C)C

InChI

InChI=1S/C17H17ClO4S/c1-10-5-6-11(2)16(12(10)3)22-17(19)13-7-8-14(18)15(9-13)23(4,20)21/h5-9H,1-4H3