(13-azido-2-ethyl-tridecanoyl) 2,4,6-tris(chloranyl)benzoate

Systemtic Name: (13-azido-2-ethyl-tridecanoyl) 2,4,6-tris(chloranyl)benzoate Openeye Name: (13-azido-2-ethyl-tridecanoyl) 2,4,6-trichlorobenzoate CAS Name: 2,4,6-trichlorobenzoic acid (13-azido-2-ethyl-1-oxotridecyl) ester IUPAC Name: (13-azido-2-ethyltridecanoyl) 2,4,6-trichlorobenzoate Traditional Name: 2,4,6-trichlorobenzoic acid (13-azido-2-ethyl-tridecanoyl) ester Formula: C22H30Cl3N3O3 MolecularWeight: 490.8509

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCCCCCCCCCN=[N+]=[N-])C(=O)OC(=O)C1=C(C=C(C=C1Cl)Cl)Cl

Isomeric SMILES

CCC(CCCCCCCCCCCN=[N+]=[N-])C(=O)OC(=O)C1=C(C=C(C=C1Cl)Cl)Cl

InChI

InChI=1S/C22H30Cl3N3O3/c1-2-16(12-10-8-6-4-3-5-7-9-11-13-27-28-26)21(29)31-22(30)20-18(24)14-17(23)15-19(20)25/h14-16H,2-13H2,1H3