sodium 2-[(E)-octadec-9-enoyl]oxy-2-oxidanylidene-ethanesulfonic acid

Systemtic Name: sodium 2-[(E)-octadec-9-enoyl]oxy-2-oxidanylidene-ethanesulfonic acid Openeye Name: sodium 2-[(E)-octadec-9-enoyl]oxy-2-oxo-ethanesulfonic acid CAS Name: sodium 2-oxo-2-[(E)-1-oxooctadec-9-enoxy]ethanesulfonic acid IUPAC Name: sodium 2-[(E)-octadec-9-enoyl]oxy-2-oxoethanesulfonic acid Traditional Name: sodium 2-keto-2-[(E)-octadec-9-enoyl]oxy-ethanesulfonic acid Formula: C20H36NaO6S+ MolecularWeight: 427.55101

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC(=O)CS(=O)(=O)O.[Na+]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC(=O)CS(=O)(=O)O.[Na+]

InChI

InChI=1S/C20H36O6S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)26-20(22)18-27(23,24)25;/h9-10H,2-8,11-18H2,1H3,(H,23,24,25);/q;+1/b10-9+;