(2-bromanyl-4-butan-2-yl-phenyl) 4-tert-butylbenzoate

Systemtic Name: (2-bromanyl-4-butan-2-yl-phenyl) 4-tert-butylbenzoate Openeye Name: (2-bromo-4-sec-butyl-phenyl) 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid (2-bromo-4-butan-2-ylphenyl) ester IUPAC Name: (2-bromo-4-butan-2-ylphenyl) 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid (2-bromo-4-sec-butyl-phenyl) ester Formula: C21H25BrO2 MolecularWeight: 389.326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrO2/c1-6-14(2)16-9-12-19(18(22)13-16)24-20(23)15-7-10-17(11-8-15)21(3,4)5/h7-14H,6H2,1-5H3