2-butyl-2-ethyl-1-(furan-2-yl)propane-1,3-diol

Systemtic Name: 2-butyl-2-ethyl-1-(furan-2-yl)propane-1,3-diol Openeye Name: 2-butyl-2-ethyl-1-(2-furyl)propane-1,3-diol CAS Name: 2-butyl-2-ethyl-1-(2-furanyl)propane-1,3-diol IUPAC Name: 2-butyl-2-ethyl-1-(furan-2-yl)propane-1,3-diol Traditional Name: 2-butyl-2-ethyl-1-(2-furyl)propane-1,3-diol Formula: C13H22O3 MolecularWeight: 226.31198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)(CO)C(C1=CC=CO1)O

Isomeric SMILES

CCCCC(CC)(CO)C(C1=CC=CO1)O

InChI

InChI=1S/C13H22O3/c1-3-5-8-13(4-2,10-14)12(15)11-7-6-9-16-11/h6-7,9,12,14-15H,3-5,8,10H2,1-2H3