ethyl 4-bromanyl-6,6,6-tris(chloranyl)-2-(phenylmethyl)hexanoate

Systemtic Name: ethyl 4-bromanyl-6,6,6-tris(chloranyl)-2-(phenylmethyl)hexanoate Openeye Name: ethyl 2-benzyl-4-bromo-6,6,6-trichloro-hexanoate CAS Name: 4-bromo-6,6,6-trichloro-2-(phenylmethyl)hexanoic acid ethyl ester IUPAC Name: ethyl 2-benzyl-4-bromo-6,6,6-trichlorohexanoate Traditional Name: 2-benzyl-4-bromo-6,6,6-trichloro-hexanoic acid ethyl ester Formula: C15H18BrCl3O2 MolecularWeight: 416.56522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)CC(CC(Cl)(Cl)Cl)Br

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)CC(CC(Cl)(Cl)Cl)Br

InChI

InChI=1S/C15H18BrCl3O2/c1-2-21-14(20)12(8-11-6-4-3-5-7-11)9-13(16)10-15(17,18)19/h3-7,12-13H,2,8-10H2,1H3