sodium 4-(2-ethylhexanoyloxy)benzenesulfonate

Systemtic Name: sodium 4-(2-ethylhexanoyloxy)benzenesulfonate Openeye Name: sodium 4-(2-ethylhexanoyloxy)benzenesulfonate CAS Name: sodium 4-(2-ethyl-1-oxohexoxy)benzenesulfonate IUPAC Name: sodium 4-(2-ethylhexanoyloxy)benzenesulfonate Traditional Name: sodium 4-(2-ethylhexanoyloxy)besylate Formula: C14H19NaO5S MolecularWeight: 322.35243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O5S.Na/c1-3-5-6-11(4-2)14(15)19-12-7-9-13(10-8-12)20(16,17)18;/h7-11H,3-6H2,1-2H3,(H,16,17,18);/q;+1/p-1