(4-oxidanylidene-4-phenyl-butyl) 3-methylsulfonylbenzoate

Systemtic Name: (4-oxidanylidene-4-phenyl-butyl) 3-methylsulfonylbenzoate Openeye Name: (4-oxo-4-phenyl-butyl) 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid (4-oxo-4-phenylbutyl) ester IUPAC Name: (4-oxo-4-phenylbutyl) 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid (4-keto-4-phenyl-butyl) ester Formula: C18H18O5S MolecularWeight: 346.39752

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)OCCCC(=O)C2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)OCCCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H18O5S/c1-24(21,22)16-10-5-9-15(13-16)18(20)23-12-6-11-17(19)14-7-3-2-4-8-14/h2-5,7-10,13H,6,11-12H2,1H3