phenacyl 4-tert-butylbenzoate

Systemtic Name: phenacyl 4-tert-butylbenzoate Openeye Name: phenacyl 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid phenacyl ester IUPAC Name: phenacyl 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid phenacyl ester Formula: C19H20O3 MolecularWeight: 296.3603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20O3/c1-19(2,3)16-11-9-15(10-12-16)18(21)22-13-17(20)14-7-5-4-6-8-14/h4-12H,13H2,1-3H3