[4-(2-bromanylethanoyl)-2-[(4-methylphenyl)carbonyloxymethyl]phenyl] 3-methylbenzoate

Systemtic Name: [4-(2-bromanylethanoyl)-2-[(4-methylphenyl)carbonyloxymethyl]phenyl] 3-methylbenzoate Openeye Name: [4-(2-bromoacetyl)-2-[(4-methylbenzoyl)oxymethyl]phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-(2-bromo-1-oxoethyl)-2-[[(4-methylphenyl)-oxomethoxy]methyl]phenyl] ester IUPAC Name: [4-(2-bromoacetyl)-2-[(4-methylbenzoyl)oxymethyl]phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-(2-bromoacetyl)-2-(p-toluoyloxymethyl)phenyl] ester Formula: C25H21BrO5 MolecularWeight: 481.33524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC2=C(C=CC(=C2)C(=O)CBr)OC(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCC2=C(C=CC(=C2)C(=O)CBr)OC(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C25H21BrO5/c1-16-6-8-18(9-7-16)24(28)30-15-21-13-19(22(27)14-26)10-11-23(21)31-25(29)20-5-3-4-17(2)12-20/h3-13H,14-15H2,1-2H3