3,3-dimethyl-1-[4-(phenylsulfonyl)phenoxy]butan-2-one

Systemtic Name: 3,3-dimethyl-1-[4-(phenylsulfonyl)phenoxy]butan-2-one Openeye Name: 1-[4-(benzenesulfonyl)phenoxy]-3,3-dimethyl-butan-2-one CAS Name: 1-[4-(benzenesulfonyl)phenoxy]-3,3-dimethyl-2-butanone IUPAC Name: 1-[4-(benzenesulfonyl)phenoxy]-3,3-dimethylbutan-2-one Traditional Name: 1-(4-besylphenoxy)-3,3-dimethyl-butan-2-one Formula: C18H20O4S MolecularWeight: 332.414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)COC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H20O4S/c1-18(2,3)17(19)13-22-14-9-11-16(12-10-14)23(20,21)15-7-5-4-6-8-15/h4-12H,13H2,1-3H3