4-bromanyl-5-methyl-5-oxidanyl-3-(1-oxidanylbutyl)furan-2-one

Systemtic Name: 4-bromanyl-5-methyl-5-oxidanyl-3-(1-oxidanylbutyl)furan-2-one Openeye Name: 4-bromo-5-hydroxy-3-(1-hydroxybutyl)-5-methyl-furan-2-one CAS Name: 4-bromo-5-hydroxy-3-(1-hydroxybutyl)-5-methyl-2-furanone IUPAC Name: 4-bromo-5-hydroxy-3-(1-hydroxybutyl)-5-methylfuran-2-one Traditional Name: 4-bromo-5-hydroxy-3-(1-hydroxybutyl)-5-methyl-furan-2-one Formula: C9H13BrO4 MolecularWeight: 265.10112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C(C(OC1=O)(C)O)Br)O

Isomeric SMILES

CCCC(C1=C(C(OC1=O)(C)O)Br)O

InChI

InChI=1S/C9H13BrO4/c1-3-4-5(11)6-7(10)9(2,13)14-8(6)12/h5,11,13H,3-4H2,1-2H3