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

Systemtic Name: 2-(4-decoxyphenyl)-2-oxidanylidene-ethanal hydrate Openeye Name: 2-(4-decoxyphenyl)-2-oxo-acetaldehyde hydrate CAS Name: 2-(4-decoxyphenyl)-2-oxoacetaldehyde hydrate IUPAC Name: 2-(4-decoxyphenyl)-2-oxoacetaldehyde hydrate Traditional Name: 2-(4-decoxyphenyl)-2-keto-acetaldehyde hydrate Formula: C18H28O4 MolecularWeight: 308.41252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)C=O.O

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)C=O.O

InChI

InChI=1S/C18H26O3.H2O/c1-2-3-4-5-6-7-8-9-14-21-17-12-10-16(11-13-17)18(20)15-19;/h10-13,15H,2-9,14H2,1H3;1H2