3-bromanylpentan-2-one; 3-(furan-2-ylmethylsulfanyl)butan-2-one

Systemtic Name: 3-bromanylpentan-2-one; 3-(furan-2-ylmethylsulfanyl)butan-2-one Openeye Name: 3-bromopentan-2-one; 3-(2-furylmethylsulfanyl)butan-2-one CAS Name: 3-bromo-2-pentanone; 3-(2-furanylmethylthio)-2-butanone IUPAC Name: 3-bromopentan-2-one; 3-(furan-2-ylmethylsulfanyl)butan-2-one Traditional Name: 3-bromopentan-2-one; 3-(2-furfurylthio)butan-2-one Formula: C14H21BrO3S MolecularWeight: 349.28374

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C)Br.CC(C(=O)C)SCC1=CC=CO1

Isomeric SMILES

CCC(C(=O)C)Br.CC(C(=O)C)SCC1=CC=CO1

InChI

InChI=1S/C9H12O2S.C5H9BrO/c1-7(10)8(2)12-6-9-4-3-5-11-9;1-3-5(6)4(2)7/h3-5,8H,6H2,1-2H3;5H,3H2,1-2H3