2-(bromomethyl)-4,4,4-tris(chloranyl)-2-(3-ethylphenyl)butanoate

Systemtic Name: 2-(bromomethyl)-4,4,4-tris(chloranyl)-2-(3-ethylphenyl)butanoate Openeye Name: 2-(bromomethyl)-4,4,4-trichloro-2-(3-ethylphenyl)butanoate CAS Name: 2-(bromomethyl)-4,4,4-trichloro-2-(3-ethylphenyl)butanoate IUPAC Name: 2-(bromomethyl)-4,4,4-trichloro-2-(3-ethylphenyl)butanoate Traditional Name: 2-(bromomethyl)-4,4,4-trichloro-2-(3-ethylphenyl)butyrate Formula: C13H13BrCl3O2- MolecularWeight: 387.50412

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)C(CC(Cl)(Cl)Cl)(CBr)C(=O)[O-]

Isomeric SMILES

CCC1=CC(=CC=C1)C(CC(Cl)(Cl)Cl)(CBr)C(=O)[O-]

InChI

InChI=1S/C13H14BrCl3O2/c1-2-9-4-3-5-10(6-9)12(8-14,11(18)19)7-13(15,16)17/h3-6H,2,7-8H2,1H3,(H,18,19)/p-1