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

Systemtic Name: sodium (E)-4-octadecoxy-4-oxidanylidene-but-2-enoate Openeye Name: sodium (E)-4-octadecoxy-4-oxo-but-2-enoate CAS Name: sodium (E)-4-octadecoxy-4-oxo-2-butenoate IUPAC Name: sodium (E)-4-octadecoxy-4-oxobut-2-enoate Traditional Name: sodium (E)-4-keto-4-stearyloxy-but-2-enoate Formula: C22H39NaO4 MolecularWeight: 390.53243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H40O4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-22(25)19-18-21(23)24;/h18-19H,2-17,20H2,1H3,(H,23,24);/q;+1/p-1/b19-18+;