3,5-ditert-butyl-2-octadecyl-4-oxidanyl-benzoate

Systemtic Name: 3,5-ditert-butyl-2-octadecyl-4-oxidanyl-benzoate Openeye Name: 3,5-ditert-butyl-4-hydroxy-2-octadecyl-benzoate CAS Name: 3,5-ditert-butyl-4-hydroxy-2-octadecylbenzoate IUPAC Name: 3,5-ditert-butyl-4-hydroxy-2-octadecylbenzoate Traditional Name: 3,5-ditert-butyl-4-hydroxy-2-stearyl-benzoate Formula: C33H57O3- MolecularWeight: 501.80388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H58O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-27(31(35)36)25-28(32(2,3)4)30(34)29(26)33(5,6)7/h25,34H,8-24H2,1-7H3,(H,35,36)/p-1