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

Systemtic Name: 3-phenylpropyl 4-[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoyloxy]benzoate Openeye Name: 3-phenylpropyl 4-[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]oxybenzoate CAS Name: 4-[2-(2,4-dibromo-6-methylphenoxy)-1-oxoethoxy]benzoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[2-(2,4-dibromo-6-methylphenoxy)acetyl]oxybenzoate Traditional Name: 4-[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]oxybenzoic acid 3-phenylpropyl ester Formula: C25H22Br2O5 MolecularWeight: 562.24718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)OC2=CC=C(C=C2)C(=O)OCCCC3=CC=CC=C3)Br)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)OC2=CC=C(C=C2)C(=O)OCCCC3=CC=CC=C3)Br)Br

InChI

InChI=1S/C25H22Br2O5/c1-17-14-20(26)15-22(27)24(17)31-16-23(28)32-21-11-9-19(10-12-21)25(29)30-13-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-12,14-15H,5,8,13,16H2,1H3