(3-phenoxyphenyl)methyl 4-bromanyl-6,6,6-tris(chloranyl)-3,3-dimethyl-hexanoate

Systemtic Name: (3-phenoxyphenyl)methyl 4-bromanyl-6,6,6-tris(chloranyl)-3,3-dimethyl-hexanoate Openeye Name: (3-phenoxyphenyl)methyl 4-bromo-6,6,6-trichloro-3,3-dimethyl-hexanoate CAS Name: 4-bromo-6,6,6-trichloro-3,3-dimethylhexanoic acid (3-phenoxyphenyl)methyl ester IUPAC Name: (3-phenoxyphenyl)methyl 4-bromo-6,6,6-trichloro-3,3-dimethylhexanoate Traditional Name: 4-bromo-6,6,6-trichloro-3,3-dimethyl-hexanoic acid (3-phenoxybenzyl) ester Formula: C21H22BrCl3O3 MolecularWeight: 508.66058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)OCC1=CC(=CC=C1)OC2=CC=CC=C2)C(CC(Cl)(Cl)Cl)Br

Isomeric SMILES

CC(C)(CC(=O)OCC1=CC(=CC=C1)OC2=CC=CC=C2)C(CC(Cl)(Cl)Cl)Br

InChI

InChI=1S/C21H22BrCl3O3/c1-20(2,18(22)12-21(23,24)25)13-19(26)27-14-15-7-6-10-17(11-15)28-16-8-4-3-5-9-16/h3-11,18H,12-14H2,1-2H3