sodium 5-(2-methylbutan-2-yl)-3-(7-methyloctyl)-2-oxidanyl-benzoate

Systemtic Name: sodium 5-(2-methylbutan-2-yl)-3-(7-methyloctyl)-2-oxidanyl-benzoate Openeye Name: sodium 5-(1,1-dimethylpropyl)-2-hydroxy-3-(7-methyloctyl)benzoate CAS Name: sodium 2-hydroxy-5-(2-methylbutan-2-yl)-3-(7-methyloctyl)benzoate IUPAC Name: sodium 2-hydroxy-5-(2-methylbutan-2-yl)-3-(7-methyloctyl)benzoate Traditional Name: sodium 5-tert-amyl-2-hydroxy-3-(7-methyloctyl)benzoate Formula: C21H33NaO3 MolecularWeight: 356.47469

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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