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

Systemtic Name: 1-bromanyl-3,3-dimethyl-1-[4-(phenylsulfonyl)phenoxy]butan-2-one Openeye Name: 1-[4-(benzenesulfonyl)phenoxy]-1-bromo-3,3-dimethyl-butan-2-one CAS Name: 1-[4-(benzenesulfonyl)phenoxy]-1-bromo-3,3-dimethyl-2-butanone IUPAC Name: 1-[4-(benzenesulfonyl)phenoxy]-1-bromo-3,3-dimethylbutan-2-one Traditional Name: 1-(4-besylphenoxy)-1-bromo-3,3-dimethyl-butan-2-one Formula: C18H19BrO4S MolecularWeight: 411.31006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(OC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2)Br

Isomeric SMILES

CC(C)(C)C(=O)C(OC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2)Br

InChI

InChI=1S/C18H19BrO4S/c1-18(2,3)16(20)17(19)23-13-9-11-15(12-10-13)24(21,22)14-7-5-4-6-8-14/h4-12,17H,1-3H3