(3,5-dimethylphenyl)methyl 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: (3,5-dimethylphenyl)methyl 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: (3,5-dimethylphenyl)methyl 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)methyl 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid (3,5-dimethylbenzyl) ester Formula: C17H17ClO4S MolecularWeight: 352.83248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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