ethyl ethanoate; hexane; hydrate

Systemtic Name: ethyl ethanoate; hexane; hydrate Openeye Name: ethyl acetate; hexane; hydrate CAS Name: acetic acid ethyl ester; hexane; hydrate IUPAC Name: ethyl acetate; hexane; hydrate Traditional Name: acetic acid ethyl ester; n-hexane; hydrate Formula: C16H38O3 MolecularWeight: 278.47112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C6H14.C4H8O2.H2O/c2*1-3-5-6-4-2;1-3-6-4(2)5;/h2*3-6H2,1-2H3;3H2,1-2H3;1H2