hexanoate; 3-methylbutyl ethanoate

Systemtic Name: hexanoate; 3-methylbutyl ethanoate Openeye Name: hexanoate; isopentyl acetate CAS Name: acetic acid 3-methylbutyl ester; hexanoate IUPAC Name: hexanoate; 3-methylbutyl acetate Traditional Name: acetic acid isoamyl ester; hexanoate Formula: C13H25O4- MolecularWeight: 245.3352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)[O-].CC(C)CCOC(=O)C

Isomeric SMILES

CCCCCC(=O)[O-].CC(C)CCOC(=O)C

InChI

InChI=1S/C7H14O2.C6H12O2/c1-6(2)4-5-9-7(3)8;1-2-3-4-5-6(7)8/h6H,4-5H2,1-3H3;2-5H2,1H3,(H,7,8)/p-1