3-phenylpropyl 2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoate

Systemtic Name: 3-phenylpropyl 2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoate Openeye Name: 3-phenylpropyl 2-(2,4-dibromo-6-methyl-phenoxy)acetate CAS Name: 2-(2,4-dibromo-6-methylphenoxy)acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-(2,4-dibromo-6-methylphenoxy)acetate Traditional Name: 2-(2,4-dibromo-6-methyl-phenoxy)acetic acid 3-phenylpropyl ester Formula: C18H18Br2O3 MolecularWeight: 442.14172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)OCCCC2=CC=CC=C2)Br)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)OCCCC2=CC=CC=C2)Br)Br

InChI

InChI=1S/C18H18Br2O3/c1-13-10-15(19)11-16(20)18(13)23-12-17(21)22-9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10-11H,5,8-9,12H2,1H3