(2,5-dimethylphenyl)methyl 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: (2,5-dimethylphenyl)methyl 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: (2,5-dimethylphenyl)methyl 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid (2,5-dimethylbenzyl) ester Formula: C17H17ClO4S MolecularWeight: 352.83248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClO4S/c1-11-4-5-12(2)13(8-11)10-22-17(19)15-9-14(23(3,20)21)6-7-16(15)18/h4-9H,10H2,1-3H3