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

Systemtic Name: 3,5-ditert-butyl-2-hexadecyl-4-oxidanyl-benzoate Openeye Name: 3,5-ditert-butyl-2-hexadecyl-4-hydroxy-benzoate CAS Name: 3,5-ditert-butyl-2-hexadecyl-4-hydroxybenzoate IUPAC Name: 3,5-ditert-butyl-2-hexadecyl-4-hydroxybenzoate Traditional Name: 3,5-ditert-butyl-2-cetyl-4-hydroxy-benzoate Formula: C31H53O3- MolecularWeight: 473.75072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=C(C(=C(C=C1C(=O)[O-])C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=C(C(=C(C=C1C(=O)[O-])C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C31H54O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-25(29(33)34)23-26(30(2,3)4)28(32)27(24)31(5,6)7/h23,32H,8-22H2,1-7H3,(H,33,34)/p-1