2-oxidanylidene-2-(4-propoxyphenyl)ethanal hydrate

Systemtic Name: 2-oxidanylidene-2-(4-propoxyphenyl)ethanal hydrate Openeye Name: 2-oxo-2-(4-propoxyphenyl)acetaldehyde hydrate CAS Name: 2-oxo-2-(4-propoxyphenyl)acetaldehyde hydrate IUPAC Name: 2-oxo-2-(4-propoxyphenyl)acetaldehyde hydrate Traditional Name: 2-keto-2-(4-propoxyphenyl)acetaldehyde hydrate Formula: C11H14O4 MolecularWeight: 210.22646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12O3.H2O/c1-2-7-14-10-5-3-9(4-6-10)11(13)8-12;/h3-6,8H,2,7H2,1H3;1H2