pent-4-enal hydrate

Systemtic Name: pent-4-enal hydrate Openeye Name: pent-4-enal hydrate CAS Name: 4-pentenal hydrate IUPAC Name: pent-4-enal hydrate Traditional Name: pent-4-enal hydrate Formula: C10H18O3 MolecularWeight: 186.24812

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC=O.C=CCCC=O.O

Isomeric SMILES

C=CCCC=O.C=CCCC=O.O

InChI

InChI=1S/2C5H8O.H2O/c2*1-2-3-4-5-6;/h2*2,5H,1,3-4H2;1H2