3-[[2,2,2-tris(chloranyl)-1-(tetradecanoylamino)ethyl]amino]benzoic acid

Systemtic Name: 3-[[2,2,2-tris(chloranyl)-1-(tetradecanoylamino)ethyl]amino]benzoic acid Openeye Name: 3-[[2,2,2-trichloro-1-(tetradecanoylamino)ethyl]amino]benzoic acid CAS Name: 3-[[2,2,2-trichloro-1-(1-oxotetradecylamino)ethyl]amino]benzoic acid IUPAC Name: 3-[[2,2,2-trichloro-1-(tetradecanoylamino)ethyl]amino]benzoic acid Traditional Name: 3-[[2,2,2-trichloro-1-(tetradecanoylamino)ethyl]amino]benzoic acid Formula: C23H35Cl3N2O3 MolecularWeight: 493.8946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)NC(C(Cl)(Cl)Cl)NC1=CC=CC(=C1)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCC(=O)NC(C(Cl)(Cl)Cl)NC1=CC=CC(=C1)C(=O)O

InChI

InChI=1S/C23H35Cl3N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-16-20(29)28-22(23(24,25)26)27-19-15-13-14-18(17-19)21(30)31/h13-15,17,22,27H,2-12,16H2,1H3,(H,28,29)(H,30,31)