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

Systemtic Name: 3-bromanylpentan-2-one; 2-(furan-2-ylmethylsulfanyl)pentan-3-one Openeye Name: 3-bromopentan-2-one; 2-(2-furylmethylsulfanyl)pentan-3-one CAS Name: 3-bromo-2-pentanone; 2-(2-furanylmethylthio)-3-pentanone IUPAC Name: 3-bromopentan-2-one; 2-(furan-2-ylmethylsulfanyl)pentan-3-one Traditional Name: 3-bromopentan-2-one; 2-(2-furfurylthio)pentan-3-one Formula: C15H23BrO3S MolecularWeight: 363.31032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14O2S.C5H9BrO/c1-3-10(11)8(2)13-7-9-5-4-6-12-9;1-3-5(6)4(2)7/h4-6,8H,3,7H2,1-2H3;5H,3H2,1-2H3