sodium 4-octanoyloxybenzenesulfonate

Systemtic Name: sodium 4-octanoyloxybenzenesulfonate Openeye Name: sodium 4-octanoyloxybenzenesulfonate CAS Name: sodium 4-(1-oxooctoxy)benzenesulfonate IUPAC Name: sodium 4-octanoyloxybenzenesulfonate Traditional Name: sodium 4-caprylyloxybesylate Formula: C14H19NaO5S MolecularWeight: 322.35243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O5S.Na/c1-2-3-4-5-6-7-14(15)19-12-8-10-13(11-9-12)20(16,17)18;/h8-11H,2-7H2,1H3,(H,16,17,18);/q;+1/p-1