2-(4-bromanyl-2-chloranyl-phenoxy)-2-phenoxy-propanoate; dimethylazanium

Systemtic Name: 2-(4-bromanyl-2-chloranyl-phenoxy)-2-phenoxy-propanoate; dimethylazanium Openeye Name: 2-(4-bromo-2-chloro-phenoxy)-2-phenoxy-propanoate; dimethylammonium CAS Name: 2-(4-bromo-2-chlorophenoxy)-2-phenoxypropanoate; dimethylammonium IUPAC Name: 2-(4-bromo-2-chlorophenoxy)-2-phenoxypropanoate; dimethylazanium Traditional Name: 2-(4-bromo-2-chloro-phenoxy)-2-phenoxy-propionate; dimethylammonium Formula: C17H19BrClNO4 MolecularWeight: 416.69406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12BrClO4.C2H7N/c1-15(14(18)19,20-11-5-3-2-4-6-11)21-13-8-7-10(16)9-12(13)17;1-3-2/h2-9H,1H3,(H,18,19);3H,1-2H3