sodium 2-butyl-3-oxidanyl-benzoate

Systemtic Name: sodium 2-butyl-3-oxidanyl-benzoate Openeye Name: sodium 2-butyl-3-hydroxy-benzoate CAS Name: sodium 2-butyl-3-hydroxybenzoate IUPAC Name: sodium 2-butyl-3-hydroxybenzoate Traditional Name: sodium 2-butyl-3-hydroxy-benzoate Formula: C11H13NaO3 MolecularWeight: 216.20889

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC=C1O)C(=O)[O-].[Na+]

Isomeric SMILES

CCCCC1=C(C=CC=C1O)C(=O)[O-].[Na+]

InChI

InChI=1S/C11H14O3.Na/c1-2-3-5-8-9(11(13)14)6-4-7-10(8)12;/h4,6-7,12H,2-3,5H2,1H3,(H,13,14);/q;+1/p-1