[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 2-methylsulfonylbenzoate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 2-methylsulfonylbenzoate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C18H18O5S MolecularWeight: 346.39752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18O5S/c1-12-8-9-13(2)15(10-12)16(19)11-23-18(20)14-6-4-5-7-17(14)24(3,21)22/h4-10H,11H2,1-3H3