3-[(4-bromanyl-2-tert-butyl-5-methyl-phenoxy)methyl]benzoate

Systemtic Name: 3-[(4-bromanyl-2-tert-butyl-5-methyl-phenoxy)methyl]benzoate Openeye Name: 3-[(4-bromo-2-tert-butyl-5-methyl-phenoxy)methyl]benzoate CAS Name: 3-[(4-bromo-2-tert-butyl-5-methylphenoxy)methyl]benzoate IUPAC Name: 3-[(4-bromo-2-tert-butyl-5-methylphenoxy)methyl]benzoate Traditional Name: 3-[(4-bromo-2-tert-butyl-5-methyl-phenoxy)methyl]benzoate Formula: C19H20BrO3- MolecularWeight: 376.2643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C(C)(C)C)OCC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1Br)C(C)(C)C)OCC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C19H21BrO3/c1-12-8-17(15(10-16(12)20)19(2,3)4)23-11-13-6-5-7-14(9-13)18(21)22/h5-10H,11H2,1-4H3,(H,21,22)/p-1