[2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl] 4-chloranyl-3-methylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl] 4-chloranyl-3-methylsulfonyl-benzoate Openeye Name: [2-(4-isopropylphenyl)-2-oxo-ethyl] 4-chloro-3-methylsulfonyl-benzoate CAS Name: 4-chloro-3-methylsulfonylbenzoic acid [2-oxo-2-(4-propan-2-ylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-propan-2-ylphenyl)ethyl] 4-chloro-3-methylsulfonylbenzoate Traditional Name: 4-chloro-3-mesyl-benzoic acid (2-keto-2-p-cumenyl-ethyl) ester Formula: C19H19ClO5S MolecularWeight: 394.86916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClO5S/c1-12(2)13-4-6-14(7-5-13)17(21)11-25-19(22)15-8-9-16(20)18(10-15)26(3,23)24/h4-10,12H,11H2,1-3H3