4-(2-bromanyl-6-chloranyl-4-methyl-phenoxy)-N-tert-butyl-butan-1-amine; ethanedioic acid

Systemtic Name: 4-(2-bromanyl-6-chloranyl-4-methyl-phenoxy)-N-tert-butyl-butan-1-amine; ethanedioic acid Openeye Name: 4-(2-bromo-6-chloro-4-methyl-phenoxy)-N-tert-butyl-butan-1-amine; oxalic acid CAS Name: 4-(2-bromo-6-chloro-4-methylphenoxy)-N-tert-butyl-1-butanamine; oxalic acid IUPAC Name: 4-(2-bromo-6-chloro-4-methylphenoxy)-N-tert-butylbutan-1-amine; oxalic acid Traditional Name: 4-(2-bromo-6-chloro-4-methyl-phenoxy)butyl-tert-butyl-amine; oxalic acid Formula: C17H25BrClNO5 MolecularWeight: 438.7411

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCCCCNC(C)(C)C)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCCCCNC(C)(C)C)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H23BrClNO.C2H2O4/c1-11-9-12(16)14(13(17)10-11)19-8-6-5-7-18-15(2,3)4;3-1(4)2(5)6/h9-10,18H,5-8H2,1-4H3;(H,3,4)(H,5,6)