methyl 2-[(3,5-dimethyl-2-methylsulfonyl-phenyl)methyl]benzoate

Systemtic Name: methyl 2-[(3,5-dimethyl-2-methylsulfonyl-phenyl)methyl]benzoate Openeye Name: methyl 2-[(3,5-dimethyl-2-methylsulfonyl-phenyl)methyl]benzoate CAS Name: 2-[(3,5-dimethyl-2-methylsulfonylphenyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(3,5-dimethyl-2-methylsulfonylphenyl)methyl]benzoate Traditional Name: 2-(2-mesyl-3,5-dimethyl-benzyl)benzoic acid methyl ester Formula: C18H20O4S MolecularWeight: 332.414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)CC2=CC=CC=C2C(=O)OC)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)CC2=CC=CC=C2C(=O)OC)S(=O)(=O)C)C

InChI

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