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

Systemtic Name: 3,5-ditert-butyl-2-hexyl-4-oxidanyl-benzoate Openeye Name: 3,5-ditert-butyl-2-hexyl-4-hydroxy-benzoate CAS Name: 3,5-ditert-butyl-2-hexyl-4-hydroxybenzoate IUPAC Name: 3,5-ditert-butyl-2-hexyl-4-hydroxybenzoate Traditional Name: 3,5-ditert-butyl-2-hexyl-4-hydroxy-benzoate Formula: C21H33O3- MolecularWeight: 333.48492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=C(C=C1C(=O)[O-])C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCCCCCC1=C(C(=C(C=C1C(=O)[O-])C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C21H34O3/c1-8-9-10-11-12-14-15(19(23)24)13-16(20(2,3)4)18(22)17(14)21(5,6)7/h13,22H,8-12H2,1-7H3,(H,23,24)/p-1