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

Systemtic Name: (2,6-ditert-butyl-4-methoxy-phenyl) 3-bromanyl-2-prop-2-enyl-benzoate Openeye Name: (2,6-ditert-butyl-4-methoxy-phenyl) 2-allyl-3-bromo-benzoate CAS Name: 3-bromo-2-prop-2-enylbenzoic acid (2,6-ditert-butyl-4-methoxyphenyl) ester IUPAC Name: (2,6-ditert-butyl-4-methoxyphenyl) 3-bromo-2-prop-2-enylbenzoate Traditional Name: 2-allyl-3-bromo-benzoic acid (2,6-ditert-butyl-4-methoxy-phenyl) ester Formula: C25H31BrO3 MolecularWeight: 459.41584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31BrO3/c1-9-11-17-18(12-10-13-21(17)26)23(27)29-22-19(24(2,3)4)14-16(28-8)15-20(22)25(5,6)7/h9-10,12-15H,1,11H2,2-8H3