6-(3-propoxyphenyl)hex-1-en-3-one hydrate

Systemtic Name: 6-(3-propoxyphenyl)hex-1-en-3-one hydrate Openeye Name: 6-(3-propoxyphenyl)hex-1-en-3-one hydrate CAS Name: 6-(3-propoxyphenyl)-1-hexen-3-one hydrate IUPAC Name: 6-(3-propoxyphenyl)hex-1-en-3-one hydrate Traditional Name: 6-(3-propoxyphenyl)hex-1-en-3-one hydrate Formula: C15H22O3 MolecularWeight: 250.33338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20O2.H2O/c1-3-11-17-15-10-6-8-13(12-15)7-5-9-14(16)4-2;/h4,6,8,10,12H,2-3,5,7,9,11H2,1H3;1H2