sodium 5-(2-methylheptan-2-yl)-2-oxidanyl-benzoate

Systemtic Name: sodium 5-(2-methylheptan-2-yl)-2-oxidanyl-benzoate Openeye Name: sodium 5-(1,1-dimethylhexyl)-2-hydroxy-benzoate CAS Name: sodium 2-hydroxy-5-(2-methylheptan-2-yl)benzoate IUPAC Name: sodium 2-hydroxy-5-(2-methylheptan-2-yl)benzoate Traditional Name: sodium 5-(1,1-dimethylhexyl)-2-hydroxy-benzoate Formula: C15H21NaO3 MolecularWeight: 272.31521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22O3.Na/c1-4-5-6-9-15(2,3)11-7-8-13(16)12(10-11)14(17)18;/h7-8,10,16H,4-6,9H2,1-3H3,(H,17,18);/q;+1/p-1