sodium 4-hexanoyloxybenzenesulfonate

Systemtic Name: sodium 4-hexanoyloxybenzenesulfonate Openeye Name: sodium 4-hexanoyloxybenzenesulfonate CAS Name: sodium 4-(1-oxohexoxy)benzenesulfonate IUPAC Name: sodium 4-hexanoyloxybenzenesulfonate Traditional Name: sodium 4-caproyloxybesylate Formula: C12H15NaO5S MolecularWeight: 294.29927

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCC(=O)OC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C12H16O5S.Na/c1-2-3-4-5-12(13)17-10-6-8-11(9-7-10)18(14,15)16;/h6-9H,2-5H2,1H3,(H,14,15,16);/q;+1/p-1