ethanoic acid; ethyl ethanoate; hexane

Systemtic Name: ethanoic acid; ethyl ethanoate; hexane Openeye Name: acetic acid; ethyl acetate; hexane CAS Name: acetic acid; acetic acid ethyl ester; hexane IUPAC Name: acetic acid; ethyl acetate; hexane Traditional Name: acetic acid; acetic acid ethyl ester; n-hexane Formula: C12H26O4 MolecularWeight: 234.33244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC.CCOC(=O)C.CC(=O)O

Isomeric SMILES

CCCCCC.CCOC(=O)C.CC(=O)O

InChI

InChI=1S/C6H14.C4H8O2.C2H4O2/c1-3-5-6-4-2;1-3-6-4(2)5;1-2(3)4/h3-6H2,1-2H3;3H2,1-2H3;1H3,(H,3,4)