sodium 4-[(Z)-1-fluoranylhex-1-enoxy]benzenesulfonate

Systemtic Name: sodium 4-[(Z)-1-fluoranylhex-1-enoxy]benzenesulfonate Openeye Name: sodium 4-[(Z)-1-fluorohex-1-enoxy]benzenesulfonate CAS Name: sodium 4-[(Z)-1-fluorohex-1-enoxy]benzenesulfonate IUPAC Name: sodium 4-[(Z)-1-fluorohex-1-enoxy]benzenesulfonate Traditional Name: sodium 4-[(Z)-1-fluorohex-1-enoxy]besylate Formula: C12H14FNaO4S MolecularWeight: 296.290333

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC/C=C(/OC1=CC=C(C=C1)S(=O)(=O)[O-])\F.[Na+]

InChI

InChI=1S/C12H15FO4S.Na/c1-2-3-4-5-12(13)17-10-6-8-11(9-7-10)18(14,15)16;/h5-9H,2-4H2,1H3,(H,14,15,16);/q;+1/p-1/b12-5+;