sodium 2-oxidanyl-5-(2,4,4-trimethylpentan-2-yl)benzoate

Systemtic Name: sodium 2-oxidanyl-5-(2,4,4-trimethylpentan-2-yl)benzoate Openeye Name: sodium 2-hydroxy-5-(1,1,3,3-tetramethylbutyl)benzoate CAS Name: sodium 2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)benzoate IUPAC Name: sodium 2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)benzoate Traditional Name: sodium 2-hydroxy-5-(1,1,3,3-tetramethylbutyl)benzoate Formula: C15H21NaO3 MolecularWeight: 272.31521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22O3.Na/c1-14(2,3)9-15(4,5)10-6-7-12(16)11(8-10)13(17)18;/h6-8,16H,9H2,1-5H3,(H,17,18);/q;+1/p-1