2-[4-[2-(4-oxaldehydoylphenyl)ethyl]phenyl]-2-oxidanylidene-ethanal dihydrate

Systemtic Name: 2-[4-[2-(4-oxaldehydoylphenyl)ethyl]phenyl]-2-oxidanylidene-ethanal dihydrate Openeye Name: 2-[4-[2-(4-oxaldehydoylphenyl)ethyl]phenyl]-2-oxo-acetaldehyde dihydrate CAS Name: 2-[4-[2-(4-oxaldehydoylphenyl)ethyl]phenyl]-2-oxoacetaldehyde dihydrate IUPAC Name: 2-[4-[2-(4-oxaldehydoylphenyl)ethyl]phenyl]-2-oxoacetaldehyde dihydrate Traditional Name: 2-[4-[2-(4-glyoxyloylphenyl)ethyl]phenyl]-2-keto-acetaldehyde dihydrate Formula: C18H18O6 MolecularWeight: 330.33192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC2=CC=C(C=C2)C(=O)C=O)C(=O)C=O.O.O

Isomeric SMILES

C1=CC(=CC=C1CCC2=CC=C(C=C2)C(=O)C=O)C(=O)C=O.O.O

InChI

InChI=1S/C18H14O4.2H2O/c19-11-17(21)15-7-3-13(4-8-15)1-2-14-5-9-16(10-6-14)18(22)12-20;;/h3-12H,1-2H2;2*1H2