6-[[4-[(6-oxidanyl-6-oxidanylidene-hexyl)peroxycarbamoyl]phenyl]carbonylamino]peroxyhexanoic acid

Systemtic Name: 6-[[4-[(6-oxidanyl-6-oxidanylidene-hexyl)peroxycarbamoyl]phenyl]carbonylamino]peroxyhexanoic acid Openeye Name: 6-[[4-[(6-hydroxy-6-oxo-hexyl)peroxycarbamoyl]benzoyl]amino]peroxyhexanoic acid CAS Name: 6-[[[4-[[(6-hydroxy-6-oxohexyl)dioxyamino]-oxomethyl]phenyl]-oxomethyl]amino]dioxyhexanoic acid IUPAC Name: 6-[[4-[(6-hydroxy-6-oxohexyl)peroxycarbamoyl]benzoyl]amino]peroxyhexanoic acid Traditional Name: 6-[[4-[(6-hydroxy-6-keto-hexyl)peroxycarbamoyl]benzoyl]amino]peroxyhexanoic acid Formula: C20H28N2O10 MolecularWeight: 456.44372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NOOCCCCCC(=O)O)C(=O)NOOCCCCCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)NOOCCCCCC(=O)O)C(=O)NOOCCCCCC(=O)O

InChI

InChI=1S/C20H28N2O10/c23-17(24)7-3-1-5-13-29-31-21-19(27)15-9-11-16(12-10-15)20(28)22-32-30-14-6-2-4-8-18(25)26/h9-12H,1-8,13-14H2,(H,21,27)(H,22,28)(H,23,24)(H,25,26)