4-iodanylbutyl 2-chloranyl-2-phenyl-ethanoate

Systemtic Name: 4-iodanylbutyl 2-chloranyl-2-phenyl-ethanoate Openeye Name: 4-iodobutyl 2-chloro-2-phenyl-acetate CAS Name: 2-chloro-2-phenylacetic acid 4-iodobutyl ester IUPAC Name: 4-iodobutyl 2-chloro-2-phenylacetate Traditional Name: 2-chloro-2-phenyl-acetic acid 4-iodobutyl ester Formula: C12H14ClIO2 MolecularWeight: 352.59583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)OCCCCI)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)OCCCCI)Cl

InChI

InChI=1S/C12H14ClIO2/c13-11(10-6-2-1-3-7-10)12(15)16-9-5-4-8-14/h1-3,6-7,11H,4-5,8-9H2