(1-octadecoxy-3-oxidanyl-propan-2-yl) 3,5-ditert-butyl-4-oxidanyl-benzoate

Systemtic Name: (1-octadecoxy-3-oxidanyl-propan-2-yl) 3,5-ditert-butyl-4-oxidanyl-benzoate Openeye Name: [1-(hydroxymethyl)-2-octadecoxy-ethyl] 3,5-ditert-butyl-4-hydroxy-benzoate CAS Name: 3,5-ditert-butyl-4-hydroxybenzoic acid (1-hydroxy-3-octadecoxypropan-2-yl) ester IUPAC Name: (1-hydroxy-3-octadecoxypropan-2-yl) 3,5-ditert-butyl-4-hydroxybenzoate Traditional Name: 3,5-ditert-butyl-4-hydroxy-benzoic acid (1-methylol-2-stearyloxy-ethyl) ester Formula: C36H64O5 MolecularWeight: 576.89036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CO)OC(=O)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CO)OC(=O)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C36H64O5/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-40-28-30(27-37)41-34(39)29-25-31(35(2,3)4)33(38)32(26-29)36(5,6)7/h25-26,30,37-38H,8-24,27-28H2,1-7H3