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

Systemtic Name: 2-(3,4-dipropoxyphenyl)-2-oxidanylidene-ethanal hydrate Openeye Name: 2-(3,4-dipropoxyphenyl)-2-oxo-acetaldehyde hydrate CAS Name: 2-(3,4-dipropoxyphenyl)-2-oxoacetaldehyde hydrate IUPAC Name: 2-(3,4-dipropoxyphenyl)-2-oxoacetaldehyde hydrate Traditional Name: 2-(3,4-dipropoxyphenyl)-2-keto-acetaldehyde hydrate Formula: C14H20O5 MolecularWeight: 268.3056

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)C=O)OCCC.O

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)C=O)OCCC.O

InChI

InChI=1S/C14H18O4.H2O/c1-3-7-17-13-6-5-11(12(16)10-15)9-14(13)18-8-4-2;/h5-6,9-10H,3-4,7-8H2,1-2H3;1H2