6-(3,5-diethoxyphenyl)hex-1-en-3-one hydrate

Systemtic Name: 6-(3,5-diethoxyphenyl)hex-1-en-3-one hydrate Openeye Name: 6-(3,5-diethoxyphenyl)hex-1-en-3-one hydrate CAS Name: 6-(3,5-diethoxyphenyl)-1-hexen-3-one hydrate IUPAC Name: 6-(3,5-diethoxyphenyl)hex-1-en-3-one hydrate Traditional Name: 6-(3,5-diethoxyphenyl)hex-1-en-3-one hydrate Formula: C16H24O4 MolecularWeight: 280.35936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)CCCC(=O)C=C)OCC.O

Isomeric SMILES

CCOC1=CC(=CC(=C1)CCCC(=O)C=C)OCC.O

InChI

InChI=1S/C16H22O3.H2O/c1-4-14(17)9-7-8-13-10-15(18-5-2)12-16(11-13)19-6-3;/h4,10-12H,1,5-9H2,2-3H3;1H2