6-(3-ethoxy-4-propoxy-phenyl)hex-1-en-3-one hydrate

Systemtic Name: 6-(3-ethoxy-4-propoxy-phenyl)hex-1-en-3-one hydrate Openeye Name: 6-(3-ethoxy-4-propoxy-phenyl)hex-1-en-3-one hydrate CAS Name: 6-(3-ethoxy-4-propoxyphenyl)-1-hexen-3-one hydrate IUPAC Name: 6-(3-ethoxy-4-propoxyphenyl)hex-1-en-3-one hydrate Traditional Name: 6-(3-ethoxy-4-propoxy-phenyl)hex-1-en-3-one hydrate Formula: C17H26O4 MolecularWeight: 294.38594

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CCCC(=O)C=C)OCC.O

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CCCC(=O)C=C)OCC.O

InChI

InChI=1S/C17H24O3.H2O/c1-4-12-20-16-11-10-14(13-17(16)19-6-3)8-7-9-15(18)5-2;/h5,10-11,13H,2,4,6-9,12H2,1,3H3;1H2