sodium (E)-4-octadecanoyloxy-4-oxidanylidene-but-2-enoate

Systemtic Name: sodium (E)-4-octadecanoyloxy-4-oxidanylidene-but-2-enoate Openeye Name: sodium (E)-4-octadecanoyloxy-4-oxo-but-2-enoate CAS Name: sodium (E)-4-oxo-4-(1-oxooctadecoxy)-2-butenoate IUPAC Name: sodium (E)-4-octadecanoyloxy-4-oxobut-2-enoate Traditional Name: sodium (E)-4-keto-4-stearoyloxy-but-2-enoate Formula: C22H37NaO5 MolecularWeight: 404.51595

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(=O)C=CC(=O)[O-].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C22H38O5.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)27-22(26)19-18-20(23)24;/h18-19H,2-17H2,1H3,(H,23,24);/q;+1/p-1/b19-18+;