N-tert-butyl-4-[2,4,6-tris(chloranyl)phenoxy]butan-1-amine; ethanedioic acid

Systemtic Name: N-tert-butyl-4-[2,4,6-tris(chloranyl)phenoxy]butan-1-amine; ethanedioic acid Openeye Name: N-tert-butyl-4-(2,4,6-trichlorophenoxy)butan-1-amine; oxalic acid CAS Name: N-tert-butyl-4-(2,4,6-trichlorophenoxy)-1-butanamine; oxalic acid IUPAC Name: N-tert-butyl-4-(2,4,6-trichlorophenoxy)butan-1-amine; oxalic acid Traditional Name: tert-butyl-[4-(2,4,6-trichlorophenoxy)butyl]amine; oxalic acid Formula: C16H22Cl3NO5 MolecularWeight: 414.70858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCCCCOC1=C(C=C(C=C1Cl)Cl)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)(C)NCCCCOC1=C(C=C(C=C1Cl)Cl)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H20Cl3NO.C2H2O4/c1-14(2,3)18-6-4-5-7-19-13-11(16)8-10(15)9-12(13)17;3-1(4)2(5)6/h8-9,18H,4-7H2,1-3H3;(H,3,4)(H,5,6)