(4-ethylphenyl) 4-methyl-3-methylsulfonyl-benzoate

Systemtic Name: (4-ethylphenyl) 4-methyl-3-methylsulfonyl-benzoate Openeye Name: (4-ethylphenyl) 4-methyl-3-methylsulfonyl-benzoate CAS Name: 4-methyl-3-methylsulfonylbenzoic acid (4-ethylphenyl) ester IUPAC Name: (4-ethylphenyl) 4-methyl-3-methylsulfonylbenzoate Traditional Name: 3-mesyl-4-methyl-benzoic acid (4-ethylphenyl) ester Formula: C17H18O4S MolecularWeight: 318.38742

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)C

InChI

InChI=1S/C17H18O4S/c1-4-13-6-9-15(10-7-13)21-17(18)14-8-5-12(2)16(11-14)22(3,19)20/h5-11H,4H2,1-3H3