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

Systemtic Name: 3-[3-azanyl-2,4,6-tris(chloranyl)phenyl]heptanoic acid Openeye Name: 3-(3-amino-2,4,6-trichloro-phenyl)heptanoic acid CAS Name: 3-(3-amino-2,4,6-trichlorophenyl)heptanoic acid IUPAC Name: 3-(3-amino-2,4,6-trichlorophenyl)heptanoic acid Traditional Name: 3-(3-amino-2,4,6-trichloro-phenyl)enanthic acid Formula: C13H16Cl3NO2 MolecularWeight: 324.63064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16Cl3NO2/c1-2-3-4-7(5-10(18)19)11-8(14)6-9(15)13(17)12(11)16/h6-7H,2-5,17H2,1H3,(H,18,19)