sodium 2-[[(Z)-octadec-9-enoyl]amino]ethanesulfonic acid

Systemtic Name: sodium 2-[[(Z)-octadec-9-enoyl]amino]ethanesulfonic acid Openeye Name: sodium 2-[[(Z)-octadec-9-enoyl]amino]ethanesulfonic acid CAS Name: sodium 2-[[(Z)-1-oxooctadec-9-enyl]amino]ethanesulfonic acid IUPAC Name: sodium 2-[[(Z)-octadec-9-enoyl]amino]ethanesulfonic acid Traditional Name: sodium 2-[[(Z)-octadec-9-enoyl]amino]ethanesulfonic acid Formula: C20H39NNaO4S+ MolecularWeight: 412.58273

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NCCS(=O)(=O)O.[Na+]

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)NCCS(=O)(=O)O.[Na+]

InChI

InChI=1S/C20H39NO4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)21-18-19-26(23,24)25;/h9-10H,2-8,11-19H2,1H3,(H,21,22)(H,23,24,25);/q;+1/b10-9-;