2-(2-butoxyphenyl)-2-oxidanylidene-ethanal hydrate

Systemtic Name: 2-(2-butoxyphenyl)-2-oxidanylidene-ethanal hydrate Openeye Name: 2-(2-butoxyphenyl)-2-oxo-acetaldehyde hydrate CAS Name: 2-(2-butoxyphenyl)-2-oxoacetaldehyde hydrate IUPAC Name: 2-(2-butoxyphenyl)-2-oxoacetaldehyde hydrate Traditional Name: 2-(2-butoxyphenyl)-2-keto-acetaldehyde hydrate Formula: C12H16O4 MolecularWeight: 224.25304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C(=O)C=O.O

Isomeric SMILES

CCCCOC1=CC=CC=C1C(=O)C=O.O

InChI

InChI=1S/C12H14O3.H2O/c1-2-3-8-15-12-7-5-4-6-10(12)11(14)9-13;/h4-7,9H,2-3,8H2,1H3;1H2