propane-1,2-diol; propanoate; 1-propoxypropane

Systemtic Name: propane-1,2-diol; propanoate; 1-propoxypropane Openeye Name: propane-1,2-diol; propanoate; 1-propoxypropane CAS Name: propane-1,2-diol; propanoate; 1-propoxypropane IUPAC Name: propane-1,2-diol; propanoate; 1-propoxypropane Traditional Name: propane-1,2-diol; propionate; 1-propoxypropane Formula: C12H27O5- MolecularWeight: 251.33978

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCCC.CCC(=O)[O-].CC(CO)O

Isomeric SMILES

CCCOCCC.CCC(=O)[O-].CC(CO)O

InChI

InChI=1S/C6H14O.C3H8O2.C3H6O2/c1-3-5-7-6-4-2;1-3(5)2-4;1-2-3(4)5/h3-6H2,1-2H3;3-5H,2H2,1H3;2H2,1H3,(H,4,5)/p-1