N'-[4-(2-tert-butyl-4-chloranyl-phenoxy)butyl]ethane-1,2-diamine; ethanedioic acid

Systemtic Name: N'-[4-(2-tert-butyl-4-chloranyl-phenoxy)butyl]ethane-1,2-diamine; ethanedioic acid Openeye Name: N'-[4-(2-tert-butyl-4-chloro-phenoxy)butyl]ethane-1,2-diamine; oxalic acid CAS Name: N'-[4-(2-tert-butyl-4-chlorophenoxy)butyl]ethane-1,2-diamine; oxalic acid IUPAC Name: N'-[4-(2-tert-butyl-4-chlorophenoxy)butyl]ethane-1,2-diamine; oxalic acid Traditional Name: 2-aminoethyl-[4-(2-tert-butyl-4-chloro-phenoxy)butyl]amine; oxalic acid Formula: C18H29ClN2O5 MolecularWeight: 388.88626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)Cl)OCCCCNCCN.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)Cl)OCCCCNCCN.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H27ClN2O.C2H2O4/c1-16(2,3)14-12-13(17)6-7-15(14)20-11-5-4-9-19-10-8-18;3-1(4)2(5)6/h6-7,12,19H,4-5,8-11,18H2,1-3H3;(H,3,4)(H,5,6)