1-phenyl-2-(phenylsulfonyl)hexane-1,5-dione

Systemtic Name: 1-phenyl-2-(phenylsulfonyl)hexane-1,5-dione Openeye Name: 2-(benzenesulfonyl)-1-phenyl-hexane-1,5-dione CAS Name: 2-(benzenesulfonyl)-1-phenylhexane-1,5-dione IUPAC Name: 2-(benzenesulfonyl)-1-phenylhexane-1,5-dione Traditional Name: 2-besyl-1-phenyl-hexane-1,5-dione Formula: C18H18O4S MolecularWeight: 330.39812

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(C(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)CCC(C(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H18O4S/c1-14(19)12-13-17(18(20)15-8-4-2-5-9-15)23(21,22)16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3