18-[[(E)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]amino]octadecanoic acid

Systemtic Name: 18-[[(E)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]amino]octadecanoic acid Openeye Name: 18-[[(E)-4-hydroxy-4-oxo-but-2-enoyl]amino]octadecanoic acid CAS Name: 18-[[(E)-4-hydroxy-1,4-dioxobut-2-enyl]amino]octadecanoic acid IUPAC Name: 18-[[(E)-4-hydroxy-4-oxobut-2-enoyl]amino]octadecanoic acid Traditional Name: 18-[[(E)-4-hydroxy-4-keto-but-2-enoyl]amino]stearic acid Formula: C22H39NO5 MolecularWeight: 397.54876

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCCCCCCC(=O)O)CCCCCCCCNC(=O)C=CC(=O)O

Isomeric SMILES

C(CCCCCCCCC(=O)O)CCCCCCCCNC(=O)/C=C/C(=O)O

InChI

InChI=1S/C22H39NO5/c24-20(17-18-22(27)28)23-19-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-21(25)26/h17-18H,1-16,19H2,(H,23,24)(H,25,26)(H,27,28)/b18-17+