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Specification
The molecular formula is C16H15ClO3.
The molecular weight is 290.74 g/mol.
The IUPAC name is 4-[(4-chlorophenyl)methoxy]-3-ethoxybenzaldehyde.
The InChI is InChI=1S/C16H15ClO3/c1-2-19-16-9-13(10-18)5-8-15(16)20-11-12-3-6-14(17)7-4-12/h3-10H,2,11H2,1H3.
The InChIKey is RKDKWRMABXGUPQ-UHFFFAOYSA-N.
The canonical SMILES is CCOC1=C(C=CC(=C1)C=O)OCC2=CC=C(C=C2)Cl.
The CAS number is 299441-96-6.
The ChEMBL ID is CHEMBL4111499.
The DSSTox Substance ID is DTXSID50351216.
Yes, 4-[(4-Chlorobenzyl)oxy]-3-ethoxybenzaldehyde is canonicalized.