sodium (E)-2-octadecylbut-2-enedioic acid

Systemtic Name: sodium (E)-2-octadecylbut-2-enedioic acid Openeye Name: sodium (E)-2-octadecylbut-2-enedioic acid CAS Name: sodium (E)-2-octadecyl-2-butenedioic acid IUPAC Name: sodium (E)-2-octadecylbut-2-enedioic acid Traditional Name: sodium (E)-2-stearylbut-2-enedioic acid Formula: C22H40NaO4+ MolecularWeight: 391.54037

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(=CC(=O)O)C(=O)O.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C22H40O4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22(25)26)19-21(23)24;/h19H,2-18H2,1H3,(H,23,24)(H,25,26);/q;+1/b20-19+;