hexadecyl 3,5-ditert-butylbenzoate

Systemtic Name: hexadecyl 3,5-ditert-butylbenzoate Openeye Name: hexadecyl 3,5-ditert-butylbenzoate CAS Name: 3,5-ditert-butylbenzoic acid hexadecyl ester IUPAC Name: hexadecyl 3,5-ditert-butylbenzoate Traditional Name: 3,5-ditert-butylbenzoic acid cetyl ester Formula: C31H54O2 MolecularWeight: 458.75926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C31H54O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-33-29(32)26-23-27(30(2,3)4)25-28(24-26)31(5,6)7/h23-25H,8-22H2,1-7H3