2-[4-(4-bromanyl-2-chloranyl-phenoxy)phenoxy]propanoate; diethylazanium

Systemtic Name: 2-[4-(4-bromanyl-2-chloranyl-phenoxy)phenoxy]propanoate; diethylazanium Openeye Name: 2-[4-(4-bromo-2-chloro-phenoxy)phenoxy]propanoate; diethylammonium CAS Name: 2-[4-(4-bromo-2-chlorophenoxy)phenoxy]propanoate; diethylammonium IUPAC Name: 2-[4-(4-bromo-2-chlorophenoxy)phenoxy]propanoate; diethylazanium Traditional Name: 2-[4-(4-bromo-2-chloro-phenoxy)phenoxy]propionate; diethylammonium Formula: C19H23BrClNO4 MolecularWeight: 444.74722

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH2+]CC.CC(C(=O)[O-])OC1=CC=C(C=C1)OC2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

CC[NH2+]CC.CC(C(=O)[O-])OC1=CC=C(C=C1)OC2=C(C=C(C=C2)Br)Cl

InChI

InChI=1S/C15H12BrClO4.C4H11N/c1-9(15(18)19)20-11-3-5-12(6-4-11)21-14-7-2-10(16)8-13(14)17;1-3-5-4-2/h2-9H,1H3,(H,18,19);5H,3-4H2,1-2H3