2-[3-[2,5-bis(chloranyl)phenoxy]propylamino]-5-bromanyl-benzoic acid

Systemtic Name: 2-[3-[2,5-bis(chloranyl)phenoxy]propylamino]-5-bromanyl-benzoic acid Openeye Name: 5-bromo-2-[3-(2,5-dichlorophenoxy)propylamino]benzoic acid CAS Name: 5-bromo-2-[3-(2,5-dichlorophenoxy)propylamino]benzoic acid IUPAC Name: 5-bromo-2-[3-(2,5-dichlorophenoxy)propylamino]benzoic acid Traditional Name: 5-bromo-2-[3-(2,5-dichlorophenoxy)propylamino]benzoic acid Formula: C16H14BrCl2NO3 MolecularWeight: 419.09726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)OCCCNC2=C(C=C(C=C2)Br)C(=O)O)Cl

Isomeric SMILES

C1=CC(=C(C=C1Cl)OCCCNC2=C(C=C(C=C2)Br)C(=O)O)Cl

InChI

InChI=1S/C16H14BrCl2NO3/c17-10-2-5-14(12(8-10)16(21)22)20-6-1-7-23-15-9-11(18)3-4-13(15)19/h2-5,8-9,20H,1,6-7H2,(H,21,22)