ethanoic acid; hexane; hydrate

Systemtic Name: ethanoic acid; hexane; hydrate Openeye Name: acetic acid; hexane; hydrate CAS Name: acetic acid; hexane; hydrate IUPAC Name: acetic acid; hexane; hydrate Traditional Name: acetic acid; n-hexane; hydrate Formula: C14H34O3 MolecularWeight: 250.41796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C6H14.C2H4O2.H2O/c2*1-3-5-6-4-2;1-2(3)4;/h2*3-6H2,1-2H3;1H3,(H,3,4);1H2