3,5-ditert-butyl-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyloxy-2-octadecyl-benzoate

Systemtic Name: 3,5-ditert-butyl-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyloxy-2-octadecyl-benzoate Openeye Name: 3,5-ditert-butyl-4-(3,5-ditert-butyl-4-hydroxy-benzoyl)oxy-2-octadecyl-benzoate CAS Name: 3,5-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)-oxomethoxy]-2-octadecylbenzoate IUPAC Name: 3,5-ditert-butyl-4-(3,5-ditert-butyl-4-hydroxybenzoyl)oxy-2-octadecylbenzoate Traditional Name: 3,5-ditert-butyl-4-(3,5-ditert-butyl-4-hydroxy-benzoyl)oxy-2-stearyl-benzoate Formula: C48H77O5- MolecularWeight: 734.12198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=C(C(=C(C=C1C(=O)[O-])C(C)(C)C)OC(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=C(C(=C(C=C1C(=O)[O-])C(C)(C)C)OC(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C48H78O5/c1-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-35-36(43(50)51)33-39(47(8,9)10)42(40(35)48(11,12)13)53-44(52)34-31-37(45(2,3)4)41(49)38(32-34)46(5,6)7/h31-33,49H,14-30H2,1-13H3,(H,50,51)/p-1