phenacyl 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: phenacyl 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: phenacyl 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid phenacyl ester IUPAC Name: phenacyl 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid phenacyl ester Formula: C16H13ClO5S MolecularWeight: 352.78942

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCC(=O)C2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H13ClO5S/c1-23(20,21)12-7-8-14(17)13(9-12)16(19)22-10-15(18)11-5-3-2-4-6-11/h2-9H,10H2,1H3