sodium 2-tert-butylbenzene-1,4-diol benzoate

Systemtic Name: sodium 2-tert-butylbenzene-1,4-diol benzoate Openeye Name: sodium 2-tert-butylbenzene-1,4-diol benzoate CAS Name: sodium 2-tert-butylbenzene-1,4-diol benzoate IUPAC Name: sodium 2-tert-butylbenzene-1,4-diol benzoate Traditional Name: sodium 2-tert-butylhydroquinone benzoate Formula: C17H19NaO4 MolecularWeight: 310.32013

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)O)O.C1=CC=C(C=C1)C(=O)[O-].[Na+]

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)O)O.C1=CC=C(C=C1)C(=O)[O-].[Na+]

InChI

InChI=1S/C10H14O2.C7H6O2.Na/c1-10(2,3)8-6-7(11)4-5-9(8)12;8-7(9)6-4-2-1-3-5-6;/h4-6,11-12H,1-3H3;1-5H,(H,8,9);/q;;+1/p-1