(2,5-dimethylphenyl)methyl 4-methylsulfonylbenzoate

Systemtic Name: (2,5-dimethylphenyl)methyl 4-methylsulfonylbenzoate Openeye Name: (2,5-dimethylphenyl)methyl 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid (2,5-dimethylbenzyl) ester Formula: C17H18O4S MolecularWeight: 318.38742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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