(3,5-dimethylphenyl)methyl 2-methylsulfonylbenzoate

Systemtic Name: (3,5-dimethylphenyl)methyl 2-methylsulfonylbenzoate Openeye Name: (3,5-dimethylphenyl)methyl 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)methyl 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid (3,5-dimethylbenzyl) ester Formula: C17H18O4S MolecularWeight: 318.38742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)COC(=O)C2=CC=CC=C2S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)COC(=O)C2=CC=CC=C2S(=O)(=O)C)C

InChI

InChI=1S/C17H18O4S/c1-12-8-13(2)10-14(9-12)11-21-17(18)15-6-4-5-7-16(15)22(3,19)20/h4-10H,11H2,1-3H3