(4-bromanyl-2-tert-butyl-phenyl) 3-methylbenzoate

Systemtic Name: (4-bromanyl-2-tert-butyl-phenyl) 3-methylbenzoate Openeye Name: (4-bromo-2-tert-butyl-phenyl) 3-methylbenzoate CAS Name: 3-methylbenzoic acid (4-bromo-2-tert-butylphenyl) ester IUPAC Name: (4-bromo-2-tert-butylphenyl) 3-methylbenzoate Traditional Name: 3-methylbenzoic acid (4-bromo-2-tert-butyl-phenyl) ester Formula: C18H19BrO2 MolecularWeight: 347.24626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)Br)C(C)(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)Br)C(C)(C)C

InChI

InChI=1S/C18H19BrO2/c1-12-6-5-7-13(10-12)17(20)21-16-9-8-14(19)11-15(16)18(2,3)4/h5-11H,1-4H3