butan-2-ol; ethanoic acid; hydrate

Systemtic Name: butan-2-ol; ethanoic acid; hydrate Openeye Name: acetic acid; butan-2-ol; hydrate CAS Name: acetic acid; 2-butanol; hydrate IUPAC Name: acetic acid; butan-2-ol; hydrate Traditional Name: acetic acid; butan-2-ol; hydrate Formula: C6H16O4 MolecularWeight: 152.18884

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)O.CC(=O)O.O

Isomeric SMILES

CCC(C)O.CC(=O)O.O

InChI

InChI=1S/C4H10O.C2H4O2.H2O/c1-3-4(2)5;1-2(3)4;/h4-5H,3H2,1-2H3;1H3,(H,3,4);1H2