(2,4-ditert-butylphenyl) benzoate

Systemtic Name: (2,4-ditert-butylphenyl) benzoate Openeye Name: (2,4-ditert-butylphenyl) benzoate CAS Name: benzoic acid (2,4-ditert-butylphenyl) ester IUPAC Name: (2,4-ditert-butylphenyl) benzoate Traditional Name: benzoic acid (2,4-ditert-butylphenyl) ester Formula: C21H26O2 MolecularWeight: 310.42994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26O2/c1-20(2,3)16-12-13-18(17(14-16)21(4,5)6)23-19(22)15-10-8-7-9-11-15/h7-14H,1-6H3