3,5-ditert-butyl-4-oxidanyl-benzoate; hexane

Systemtic Name: 3,5-ditert-butyl-4-oxidanyl-benzoate; hexane Openeye Name: 3,5-ditert-butyl-4-hydroxy-benzoate; hexane CAS Name: 3,5-ditert-butyl-4-hydroxybenzoate; hexane IUPAC Name: 3,5-ditert-butyl-4-hydroxybenzoate; hexane Traditional Name: 3,5-ditert-butyl-4-hydroxy-benzoate; n-hexane Formula: C36H56O6-2 MolecularWeight: 584.82624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)[O-].CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)[O-]

Isomeric SMILES

CCCCCC.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)[O-].CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)[O-]

InChI

InChI=1S/2C15H22O3.C6H14/c2*1-14(2,3)10-7-9(13(17)18)8-11(12(10)16)15(4,5)6;1-3-5-6-4-2/h2*7-8,16H,1-6H3,(H,17,18);3-6H2,1-2H3/p-2