3-[(4-bromanylthiophen-2-yl)-oxidanyl-methyl]but-3-en-2-one

Systemtic Name: 3-[(4-bromanylthiophen-2-yl)-oxidanyl-methyl]but-3-en-2-one Openeye Name: 3-[(4-bromo-2-thienyl)-hydroxy-methyl]but-3-en-2-one CAS Name: 3-[(4-bromo-2-thiophenyl)-hydroxymethyl]-3-buten-2-one IUPAC Name: 3-[(4-bromothiophen-2-yl)-hydroxymethyl]but-3-en-2-one Traditional Name: 3-[(4-bromo-2-thienyl)-hydroxy-methyl]but-3-en-2-one Formula: C9H9BrO2S MolecularWeight: 261.13556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9BrO2S/c1-5(6(2)11)9(12)8-3-7(10)4-13-8/h3-4,9,12H,1H2,2H3