3-bromanyl-3-methyl-1-(3-oxidanylthiophen-2-yl)butan-1-one

Systemtic Name: 3-bromanyl-3-methyl-1-(3-oxidanylthiophen-2-yl)butan-1-one Openeye Name: 3-bromo-1-(3-hydroxy-2-thienyl)-3-methyl-butan-1-one CAS Name: 3-bromo-1-(3-hydroxy-2-thiophenyl)-3-methyl-1-butanone IUPAC Name: 3-bromo-1-(3-hydroxythiophen-2-yl)-3-methylbutan-1-one Traditional Name: 3-bromo-1-(3-hydroxy-2-thienyl)-3-methyl-butan-1-one Formula: C9H11BrO2S MolecularWeight: 263.15144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)C1=C(C=CS1)O)Br

Isomeric SMILES

CC(C)(CC(=O)C1=C(C=CS1)O)Br

InChI

InChI=1S/C9H11BrO2S/c1-9(2,10)5-7(12)8-6(11)3-4-13-8/h3-4,11H,5H2,1-2H3