3-[3-azanyl-2,4,6-tris(chloranyl)phenyl]pentanoic acid

Systemtic Name: 3-[3-azanyl-2,4,6-tris(chloranyl)phenyl]pentanoic acid Openeye Name: 3-(3-amino-2,4,6-trichloro-phenyl)pentanoic acid CAS Name: 3-(3-amino-2,4,6-trichlorophenyl)pentanoic acid IUPAC Name: 3-(3-amino-2,4,6-trichlorophenyl)pentanoic acid Traditional Name: 3-(3-amino-2,4,6-trichloro-phenyl)valeric acid Formula: C11H12Cl3NO2 MolecularWeight: 296.57748

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)O)C1=C(C(=C(C=C1Cl)Cl)N)Cl

Isomeric SMILES

CCC(CC(=O)O)C1=C(C(=C(C=C1Cl)Cl)N)Cl

InChI

InChI=1S/C11H12Cl3NO2/c1-2-5(3-8(16)17)9-6(12)4-7(13)11(15)10(9)14/h4-5H,2-3,15H2,1H3,(H,16,17)