butyl 3-(2-chloranyl-5-iodanyl-phenyl)-3-oxidanylidene-propanoate

Systemtic Name: butyl 3-(2-chloranyl-5-iodanyl-phenyl)-3-oxidanylidene-propanoate Openeye Name: butyl 3-(2-chloro-5-iodo-phenyl)-3-oxo-propanoate CAS Name: 3-(2-chloro-5-iodophenyl)-3-oxopropanoic acid butyl ester IUPAC Name: butyl 3-(2-chloro-5-iodophenyl)-3-oxopropanoate Traditional Name: 3-(2-chloro-5-iodo-phenyl)-3-keto-propionic acid butyl ester Formula: C13H14ClIO3 MolecularWeight: 380.60593

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC(=O)C1=C(C=CC(=C1)I)Cl

Isomeric SMILES

CCCCOC(=O)CC(=O)C1=C(C=CC(=C1)I)Cl

InChI

InChI=1S/C13H14ClIO3/c1-2-3-6-18-13(17)8-12(16)10-7-9(15)4-5-11(10)14/h4-5,7H,2-3,6,8H2,1H3