2-[4-[2,5-bis(chloranyl)phenoxy]butylamino]-5-bromanyl-benzoic acid

Systemtic Name: 2-[4-[2,5-bis(chloranyl)phenoxy]butylamino]-5-bromanyl-benzoic acid Openeye Name: 5-bromo-2-[4-(2,5-dichlorophenoxy)butylamino]benzoic acid CAS Name: 5-bromo-2-[4-(2,5-dichlorophenoxy)butylamino]benzoic acid IUPAC Name: 5-bromo-2-[4-(2,5-dichlorophenoxy)butylamino]benzoic acid Traditional Name: 5-bromo-2-[4-(2,5-dichlorophenoxy)butylamino]benzoic acid Formula: C17H16BrCl2NO3 MolecularWeight: 433.12384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)OCCCCNC2=C(C=C(C=C2)Br)C(=O)O)Cl

Isomeric SMILES

C1=CC(=C(C=C1Cl)OCCCCNC2=C(C=C(C=C2)Br)C(=O)O)Cl

InChI

InChI=1S/C17H16BrCl2NO3/c18-11-3-6-15(13(9-11)17(22)23)21-7-1-2-8-24-16-10-12(19)4-5-14(16)20/h3-6,9-10,21H,1-2,7-8H2,(H,22,23)