5-(2-chloranyl-4-cyano-phenoxy)pentanoic acid

Systemtic Name: 5-(2-chloranyl-4-cyano-phenoxy)pentanoic acid Openeye Name: 5-(2-chloro-4-cyano-phenoxy)pentanoic acid CAS Name: 5-(2-chloro-4-cyanophenoxy)pentanoic acid IUPAC Name: 5-(2-chloro-4-cyanophenoxy)pentanoic acid Traditional Name: 5-(2-chloro-4-cyano-phenoxy)valeric acid Formula: C12H12ClNO3 MolecularWeight: 253.68158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)Cl)OCCCCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C#N)Cl)OCCCCC(=O)O

InChI

InChI=1S/C12H12ClNO3/c13-10-7-9(8-14)4-5-11(10)17-6-2-1-3-12(15)16/h4-5,7H,1-3,6H2,(H,15,16)