2-(3,4-diethoxyphenyl)-2-oxidanylidene-ethanal hydrate

Systemtic Name: 2-(3,4-diethoxyphenyl)-2-oxidanylidene-ethanal hydrate Openeye Name: 2-(3,4-diethoxyphenyl)-2-oxo-acetaldehyde hydrate CAS Name: 2-(3,4-diethoxyphenyl)-2-oxoacetaldehyde hydrate IUPAC Name: 2-(3,4-diethoxyphenyl)-2-oxoacetaldehyde hydrate Traditional Name: 2-(3,4-diethoxyphenyl)-2-keto-acetaldehyde hydrate Formula: C12H16O5 MolecularWeight: 240.25244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O4.H2O/c1-3-15-11-6-5-9(10(14)8-13)7-12(11)16-4-2;/h5-8H,3-4H2,1-2H3;1H2