(3-phenoxyphenyl)methyl 4,6,6-tris(chloranyl)-3,3-dimethyl-hex-5-enoate

Systemtic Name: (3-phenoxyphenyl)methyl 4,6,6-tris(chloranyl)-3,3-dimethyl-hex-5-enoate Openeye Name: (3-phenoxyphenyl)methyl 4,6,6-trichloro-3,3-dimethyl-hex-5-enoate CAS Name: 4,6,6-trichloro-3,3-dimethyl-5-hexenoic acid (3-phenoxyphenyl)methyl ester IUPAC Name: (3-phenoxyphenyl)methyl 4,6,6-trichloro-3,3-dimethylhex-5-enoate Traditional Name: 4,6,6-trichloro-3,3-dimethyl-hex-5-enoic acid (3-phenoxybenzyl) ester Formula: C21H21Cl3O3 MolecularWeight: 427.74864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21Cl3O3/c1-21(2,18(22)12-19(23)24)13-20(25)26-14-15-7-6-10-17(11-15)27-16-8-4-3-5-9-16/h3-12,18H,13-14H2,1-2H3