(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyloxy-(3,4-ditert-butylphenyl)carbonyl-methyl-octadecyl-azanium

Systemtic Name: (3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyloxy-(3,4-ditert-butylphenyl)carbonyl-methyl-octadecyl-azanium Openeye Name: (3,4-ditert-butylbenzoyl)-(3,5-ditert-butyl-4-hydroxy-benzoyl)oxy-methyl-octadecyl-ammonium CAS Name: [(3,5-ditert-butyl-4-hydroxyphenyl)-oxomethoxy]-[(3,4-ditert-butylphenyl)-oxomethyl]-methyl-octadecylammonium IUPAC Name: (3,4-ditert-butylbenzoyl)-(3,5-ditert-butyl-4-hydroxybenzoyl)oxy-methyl-octadecylazanium Traditional Name: (3,4-ditert-butylbenzoyl)-(3,5-ditert-butyl-4-hydroxy-benzoyl)oxy-methyl-stearyl-ammonium Formula: C49H82NO4+ MolecularWeight: 749.17968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(C(=O)C1=CC(=C(C=C1)C(C)(C)C)C(C)(C)C)OC(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(C(=O)C1=CC(=C(C=C1)C(C)(C)C)C(C)(C)C)OC(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C49H81NO4/c1-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-33-50(14,44(52)37-31-32-39(46(2,3)4)40(34-37)47(5,6)7)54-45(53)38-35-41(48(8,9)10)43(51)42(36-38)49(11,12)13/h31-32,34-36H,15-30,33H2,1-14H3/p+1