22-[[(E)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]amino]docosanoic acid

Systemtic Name: 22-[[(E)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]amino]docosanoic acid Openeye Name: 22-[[(E)-4-hydroxy-4-oxo-but-2-enoyl]amino]docosanoic acid CAS Name: 22-[[(E)-4-hydroxy-1,4-dioxobut-2-enyl]amino]docosanoic acid IUPAC Name: 22-[[(E)-4-hydroxy-4-oxobut-2-enoyl]amino]docosanoic acid Traditional Name: 22-[[(E)-4-hydroxy-4-keto-but-2-enoyl]amino]behenic acid Formula: C26H47NO5 MolecularWeight: 453.65508

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCCCCCCCCC(=O)O)CCCCCCCCCCNC(=O)C=CC(=O)O

Isomeric SMILES

C(CCCCCCCCCCC(=O)O)CCCCCCCCCCNC(=O)/C=C/C(=O)O

InChI

InChI=1S/C26H47NO5/c28-24(21-22-26(31)32)27-23-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-25(29)30/h21-22H,1-20,23H2,(H,27,28)(H,29,30)(H,31,32)/b22-21+