3,5-ditert-butyl-2,6-dioctadecyl-4-oxidanyl-benzoate

Systemtic Name: 3,5-ditert-butyl-2,6-dioctadecyl-4-oxidanyl-benzoate Openeye Name: 3,5-ditert-butyl-4-hydroxy-2,6-dioctadecyl-benzoate CAS Name: 3,5-ditert-butyl-4-hydroxy-2,6-dioctadecylbenzoate IUPAC Name: 3,5-ditert-butyl-4-hydroxy-2,6-dioctadecylbenzoate Traditional Name: 3,5-ditert-butyl-4-hydroxy-2,6-distearyl-benzoate Formula: C51H93O3- MolecularWeight: 754.28232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=C(C(=C(C(=C1C(C)(C)C)O)C(C)(C)C)CCCCCCCCCCCCCCCCCC)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=C(C(=C(C(=C1C(C)(C)C)O)C(C)(C)C)CCCCCCCCCCCCCCCCCC)C(=O)[O-]

InChI

InChI=1S/C51H94O3/c1-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45(49(53)54)44(47(51(6,7)8)48(52)46(43)50(3,4)5)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-2/h52H,9-42H2,1-8H3,(H,53,54)/p-1