4-bromanyl-5,5-dimethyl-3-(phenylsulfinyl)furan-2-one

Systemtic Name: 4-bromanyl-5,5-dimethyl-3-(phenylsulfinyl)furan-2-one Openeye Name: 3-(benzenesulfinyl)-4-bromo-5,5-dimethyl-furan-2-one CAS Name: 3-(benzenesulfinyl)-4-bromo-5,5-dimethyl-2-furanone IUPAC Name: 3-(benzenesulfinyl)-4-bromo-5,5-dimethylfuran-2-one Traditional Name: 3-(benzenesulfinyl)-4-bromo-5,5-dimethyl-furan-2-one Formula: C12H11BrO3S MolecularWeight: 315.18294

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C(C(=O)O1)S(=O)C2=CC=CC=C2)Br)C

Isomeric SMILES

CC1(C(=C(C(=O)O1)S(=O)C2=CC=CC=C2)Br)C

InChI

InChI=1S/C12H11BrO3S/c1-12(2)10(13)9(11(14)16-12)17(15)8-6-4-3-5-7-8/h3-7H,1-2H3