(phenylmethyl) 5-(2-bromanyl-4-methyl-phenoxy)-2-oxidanylidene-pentanoate

Systemtic Name: (phenylmethyl) 5-(2-bromanyl-4-methyl-phenoxy)-2-oxidanylidene-pentanoate Openeye Name: benzyl 5-(2-bromo-4-methyl-phenoxy)-2-oxo-pentanoate CAS Name: 5-(2-bromo-4-methylphenoxy)-2-oxopentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-(2-bromo-4-methylphenoxy)-2-oxopentanoate Traditional Name: 5-(2-bromo-4-methyl-phenoxy)-2-keto-valeric acid benzyl ester Formula: C19H19BrO4 MolecularWeight: 391.25576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrO4/c1-14-9-10-18(16(20)12-14)23-11-5-8-17(21)19(22)24-13-15-6-3-2-4-7-15/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3