octadecyl 2-(3-tert-butylphenyl)propanoate

Systemtic Name: octadecyl 2-(3-tert-butylphenyl)propanoate Openeye Name: octadecyl 2-(3-tert-butylphenyl)propanoate CAS Name: 2-(3-tert-butylphenyl)propanoic acid octadecyl ester IUPAC Name: octadecyl 2-(3-tert-butylphenyl)propanoate Traditional Name: 2-(3-tert-butylphenyl)propionic acid stearyl ester Formula: C31H54O2 MolecularWeight: 458.75926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C(C)C1=CC(=CC=C1)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(C)C1=CC(=CC=C1)C(C)(C)C

InChI

InChI=1S/C31H54O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-33-30(32)27(2)28-23-22-24-29(26-28)31(3,4)5/h22-24,26-27H,6-21,25H2,1-5H3