sodium 1-[(E)-octadec-9-enoyl]oxyethanesulfonic acid

Systemtic Name: sodium 1-[(E)-octadec-9-enoyl]oxyethanesulfonic acid Openeye Name: sodium 1-[(E)-octadec-9-enoyl]oxyethanesulfonic acid CAS Name: sodium 1-[(E)-1-oxooctadec-9-enoxy]ethanesulfonic acid IUPAC Name: sodium 1-[(E)-octadec-9-enoyl]oxyethanesulfonic acid Traditional Name: sodium 1-[(E)-octadec-9-enoyl]oxyethanesulfonic acid Formula: C20H38NaO5S+ MolecularWeight: 413.56749

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC(C)S(=O)(=O)O.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C20H38O5S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(21)25-19(2)26(22,23)24;/h10-11,19H,3-9,12-18H2,1-2H3,(H,22,23,24);/q;+1/b11-10+;