5-cyano-5-(3,4-dichlorophenyl)pentanoate

Systemtic Name: 5-cyano-5-(3,4-dichlorophenyl)pentanoate Openeye Name: 5-cyano-5-(3,4-dichlorophenyl)pentanoate CAS Name: 5-cyano-5-(3,4-dichlorophenyl)pentanoate IUPAC Name: 5-cyano-5-(3,4-dichlorophenyl)pentanoate Traditional Name: 5-cyano-5-(3,4-dichlorophenyl)valerate Formula: C12H10Cl2NO2- MolecularWeight: 271.1193

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(CCCC(=O)[O-])C#N)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(CCCC(=O)[O-])C#N)Cl)Cl

InChI

InChI=1S/C12H11Cl2NO2/c13-10-5-4-8(6-11(10)14)9(7-15)2-1-3-12(16)17/h4-6,9H,1-3H2,(H,16,17)/p-1