hexane; methyl ethanoate; hydrate

Systemtic Name: hexane; methyl ethanoate; hydrate Openeye Name: hexane; methyl acetate; hydrate CAS Name: acetic acid methyl ester; hexane; hydrate IUPAC Name: hexane; methyl acetate; hydrate Traditional Name: acetic acid methyl ester; n-hexane; hydrate Formula: C15H36O3 MolecularWeight: 264.44454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC.CCCCCC.CC(=O)OC.O

Isomeric SMILES

CCCCCC.CCCCCC.CC(=O)OC.O

InChI

InChI=1S/2C6H14.C3H6O2.H2O/c2*1-3-5-6-4-2;1-3(4)5-2;/h2*3-6H2,1-2H3;1-2H3;1H2