2-[[(E,5E)-5-hydroxyiminoicos-7-enyl]amino]-3-sulfanyl-propaneperoxoic acid

Systemtic Name: 2-[[(E,5E)-5-hydroxyiminoicos-7-enyl]amino]-3-sulfanyl-propaneperoxoic acid Openeye Name: 2-[[(E,5E)-5-hydroxyiminoicos-7-enyl]amino]-3-sulfanyl-propaneperoxoic acid CAS Name: 2-[[(E,5E)-5-hydroxyiminoeicos-7-enyl]amino]-3-mercaptopropaneperoxoic acid IUPAC Name: 2-[[(E,5E)-5-hydroxyiminoicos-7-enyl]amino]-3-sulfanylpropaneperoxoic acid Traditional Name: 2-[[(E,5E)-5-hydroximinoeicos-7-enyl]amino]-3-mercapto-peroxypropionic acid Formula: C23H44N2O4S MolecularWeight: 444.67146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC=CCC(=NO)CCCCNC(CS)C(=O)OO

Isomeric SMILES

CCCCCCCCCCCC/C=C/C/C(=N/O)/CCCCNC(CS)C(=O)OO

InChI

InChI=1S/C23H44N2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-21(25-27)18-15-16-19-24-22(20-30)23(26)29-28/h13-14,22,24,27-28,30H,2-12,15-20H2,1H3/b14-13+,25-21-