heptan-3-yl hexanoate

Systemtic Name: heptan-3-yl hexanoate Openeye Name: 1-ethylpentyl hexanoate CAS Name: hexanoic acid heptan-3-yl ester IUPAC Name: heptan-3-yl hexanoate Traditional Name: hexanoic acid 1-ethylpentyl ester Formula: C13H26O2 MolecularWeight: 214.34434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC(CC)CCCC

Isomeric SMILES

CCCCCC(=O)OC(CC)CCCC

InChI

InChI=1S/C13H26O2/c1-4-7-9-11-13(14)15-12(6-3)10-8-5-2/h12H,4-11H2,1-3H3