(2,6-ditert-butyl-4-methoxy-phenyl) 3-bromanyl-2-(phenylmethyl)benzoate

Systemtic Name: (2,6-ditert-butyl-4-methoxy-phenyl) 3-bromanyl-2-(phenylmethyl)benzoate Openeye Name: (2,6-ditert-butyl-4-methoxy-phenyl) 2-benzyl-3-bromo-benzoate CAS Name: 3-bromo-2-(phenylmethyl)benzoic acid (2,6-ditert-butyl-4-methoxyphenyl) ester IUPAC Name: (2,6-ditert-butyl-4-methoxyphenyl) 2-benzyl-3-bromobenzoate Traditional Name: 2-benzyl-3-bromo-benzoic acid (2,6-ditert-butyl-4-methoxy-phenyl) ester Formula: C29H33BrO3 MolecularWeight: 509.47452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1OC(=O)C2=C(C(=CC=C2)Br)CC3=CC=CC=C3)C(C)(C)C)OC

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1OC(=O)C2=C(C(=CC=C2)Br)CC3=CC=CC=C3)C(C)(C)C)OC

InChI

InChI=1S/C29H33BrO3/c1-28(2,3)23-17-20(32-7)18-24(29(4,5)6)26(23)33-27(31)21-14-11-15-25(30)22(21)16-19-12-9-8-10-13-19/h8-15,17-18H,16H2,1-7H3