(4-tert-butylphenyl)methyl 2-bromanyl-3,4,5-trimethoxy-benzoate

Systemtic Name: (4-tert-butylphenyl)methyl 2-bromanyl-3,4,5-trimethoxy-benzoate Openeye Name: (4-tert-butylphenyl)methyl 2-bromo-3,4,5-trimethoxy-benzoate CAS Name: 2-bromo-3,4,5-trimethoxybenzoic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 2-bromo-3,4,5-trimethoxybenzoate Traditional Name: 2-bromo-3,4,5-trimethoxy-benzoic acid (4-tert-butylbenzyl) ester Formula: C21H25BrO5 MolecularWeight: 437.3242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=CC(=C(C(=C2Br)OC)OC)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=CC(=C(C(=C2Br)OC)OC)OC

InChI

InChI=1S/C21H25BrO5/c1-21(2,3)14-9-7-13(8-10-14)12-27-20(23)15-11-16(24-4)18(25-5)19(26-6)17(15)22/h7-11H,12H2,1-6H3