(4-methylphenyl)methyl 4-(3-bromanyl-4-oxidanyl-phenyl)benzoate

Systemtic Name: (4-methylphenyl)methyl 4-(3-bromanyl-4-oxidanyl-phenyl)benzoate Openeye Name: p-tolylmethyl 4-(3-bromo-4-hydroxy-phenyl)benzoate CAS Name: 4-(3-bromo-4-hydroxyphenyl)benzoic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl 4-(3-bromo-4-hydroxyphenyl)benzoate Traditional Name: 4-(3-bromo-4-hydroxy-phenyl)benzoic acid (4-methylbenzyl) ester Formula: C21H17BrO3 MolecularWeight: 397.26188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3)O)Br

Isomeric SMILES

CC1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3)O)Br

InChI

InChI=1S/C21H17BrO3/c1-14-2-4-15(5-3-14)13-25-21(24)17-8-6-16(7-9-17)18-10-11-20(23)19(22)12-18/h2-12,23H,13H2,1H3