ethyl ethanoate; hexane; 2-methoxyethanol; hydrate

Systemtic Name: ethyl ethanoate; hexane; 2-methoxyethanol; hydrate Openeye Name: ethyl acetate; hexane; 2-methoxyethanol; hydrate CAS Name: acetic acid ethyl ester; hexane; 2-methoxyethanol; hydrate IUPAC Name: ethyl acetate; hexane; 2-methoxyethanol; hydrate Traditional Name: acetic acid ethyl ester; 2-methoxyethanol; n-hexane; hydrate Formula: C13H32O5 MolecularWeight: 268.39018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H14.C4H8O2.C3H8O2.H2O/c1-3-5-6-4-2;1-3-6-4(2)5;1-5-3-2-4;/h3-6H2,1-2H3;3H2,1-2H3;4H,2-3H2,1H3;1H2