sodium 4-butylbenzoate

Systemtic Name: sodium 4-butylbenzoate Openeye Name: sodium 4-butylbenzoate CAS Name: sodium 4-butylbenzoate IUPAC Name: sodium 4-butylbenzoate Traditional Name: sodium 4-butylbenzoate Formula: C11H13NaO2 MolecularWeight: 200.20949

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)[O-].[Na+]

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)[O-].[Na+]

InChI

InChI=1S/C11H14O2.Na/c1-2-3-4-9-5-7-10(8-6-9)11(12)13;/h5-8H,2-4H2,1H3,(H,12,13);/q;+1/p-1