sodium 3-tert-butyl-5-(7-methyloctyl)-2-oxidanyl-benzoate

Systemtic Name: sodium 3-tert-butyl-5-(7-methyloctyl)-2-oxidanyl-benzoate Openeye Name: sodium 3-tert-butyl-2-hydroxy-5-(7-methyloctyl)benzoate CAS Name: sodium 3-tert-butyl-2-hydroxy-5-(7-methyloctyl)benzoate IUPAC Name: sodium 3-tert-butyl-2-hydroxy-5-(7-methyloctyl)benzoate Traditional Name: sodium 3-tert-butyl-2-hydroxy-5-(7-methyloctyl)benzoate Formula: C20H31NaO3 MolecularWeight: 342.44811

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCC1=CC(=C(C(=C1)C(=O)[O-])O)C(C)(C)C.[Na+]

Isomeric SMILES

CC(C)CCCCCCC1=CC(=C(C(=C1)C(=O)[O-])O)C(C)(C)C.[Na+]

InChI

InChI=1S/C20H32O3.Na/c1-14(2)10-8-6-7-9-11-15-12-16(19(22)23)18(21)17(13-15)20(3,4)5;/h12-14,21H,6-11H2,1-5H3,(H,22,23);/q;+1/p-1