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

Systemtic Name: (3,5-dimethylphenyl)methyl 2-methyl-5-methylsulfonyl-benzoate Openeye Name: (3,5-dimethylphenyl)methyl 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)methyl 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid (3,5-dimethylbenzyl) ester Formula: C18H20O4S MolecularWeight: 332.414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=CC(=CC(=C2)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=CC(=CC(=C2)C)C

InChI

InChI=1S/C18H20O4S/c1-12-7-13(2)9-15(8-12)11-22-18(19)17-10-16(23(4,20)21)6-5-14(17)3/h5-10H,11H2,1-4H3