ethanoic acid; hexane; trihydrate

Systemtic Name: ethanoic acid; hexane; trihydrate Openeye Name: acetic acid; hexane; trihydrate CAS Name: acetic acid; hexane; trihydrate IUPAC Name: acetic acid; hexane; trihydrate Traditional Name: acetic acid; n-hexane; trihydrate Formula: C14H38O5 MolecularWeight: 286.44852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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