ethyl ethanoate; propan-2-ol; 2-propan-2-yloxypropane

Systemtic Name: ethyl ethanoate; propan-2-ol; 2-propan-2-yloxypropane Openeye Name: ethyl acetate; 2-isopropoxypropane; propan-2-ol CAS Name: acetic acid ethyl ester; 2-propanol; 2-propan-2-yloxypropane IUPAC Name: ethyl acetate; propan-2-ol; 2-propan-2-yloxypropane Traditional Name: acetic acid ethyl ester; 2-isopropoxypropane; propan-2-ol Formula: C13H30O4 MolecularWeight: 250.3749

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H14O.C4H8O2.C3H8O/c1-5(2)7-6(3)4;1-3-6-4(2)5;1-3(2)4/h5-6H,1-4H3;3H2,1-2H3;3-4H,1-2H3