(2-bromanyl-4-butan-2-yl-phenyl) 3-methylbenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrO2/c1-4-13(3)14-8-9-17(16(19)11-14)21-18(20)15-7-5-6-12(2)10-15/h5-11,13H,4H2,1-3H3