sodium 2-[(E)-octadec-9-enoyl]oxyethanesulfonate

Systemtic Name: sodium 2-[(E)-octadec-9-enoyl]oxyethanesulfonate Openeye Name: sodium 2-[(E)-octadec-9-enoyl]oxyethanesulfonate CAS Name: sodium 2-[(E)-1-oxooctadec-9-enoxy]ethanesulfonate IUPAC Name: sodium 2-[(E)-octadec-9-enoyl]oxyethanesulfonate Traditional Name: sodium 2-[(E)-octadec-9-enoyl]oxyethanesulfonate Formula: C20H37NaO5S MolecularWeight: 412.55955

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C20H38O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(21)25-18-19-26(22,23)24;/h9-10H,2-8,11-19H2,1H3,(H,22,23,24);/q;+1/p-1/b10-9+;