(phenylmethyl) 5-[2,6-bis(bromanyl)-4-methyl-phenoxy]-2-ethanoyl-pentanoate

Systemtic Name: (phenylmethyl) 5-[2,6-bis(bromanyl)-4-methyl-phenoxy]-2-ethanoyl-pentanoate Openeye Name: benzyl 2-acetyl-5-(2,6-dibromo-4-methyl-phenoxy)pentanoate CAS Name: 2-acetyl-5-(2,6-dibromo-4-methylphenoxy)pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-acetyl-5-(2,6-dibromo-4-methylphenoxy)pentanoate Traditional Name: 2-acetyl-5-(2,6-dibromo-4-methyl-phenoxy)valeric acid benzyl ester Formula: C21H22Br2O4 MolecularWeight: 498.20498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCCCC(C(=O)C)C(=O)OCC2=CC=CC=C2)Br

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCCCC(C(=O)C)C(=O)OCC2=CC=CC=C2)Br

InChI

InChI=1S/C21H22Br2O4/c1-14-11-18(22)20(19(23)12-14)26-10-6-9-17(15(2)24)21(25)27-13-16-7-4-3-5-8-16/h3-5,7-8,11-12,17H,6,9-10,13H2,1-2H3