6-azanyl-7-[4-[2-azanyl-7-(dioxidanyl)-7-oxidanylidene-heptanoyl]phenyl]-7-oxidanylidene-heptaneperoxoic acid

Systemtic Name: 6-azanyl-7-[4-[2-azanyl-7-(dioxidanyl)-7-oxidanylidene-heptanoyl]phenyl]-7-oxidanylidene-heptaneperoxoic acid Openeye Name: 6-amino-7-[4-(2-amino-7-hydroperoxy-7-oxo-heptanoyl)phenyl]-7-oxo-heptaneperoxoic acid CAS Name: 6-amino-7-[4-(2-amino-7-hydroperoxy-1,7-dioxoheptyl)phenyl]-7-oxoheptaneperoxoic acid IUPAC Name: 6-amino-7-[4-(2-amino-7-hydroperoxy-7-oxoheptanoyl)phenyl]-7-oxoheptaneperoxoic acid Traditional Name: 6-amino-7-[4-(2-amino-7-hydroperoxy-7-keto-heptanoyl)phenyl]-7-keto-peroxyenanthic acid Formula: C20H28N2O8 MolecularWeight: 424.44492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C(CCCCC(=O)OO)N)C(=O)C(CCCCC(=O)OO)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)C(CCCCC(=O)OO)N)C(=O)C(CCCCC(=O)OO)N

InChI

InChI=1S/C20H28N2O8/c21-15(5-1-3-7-17(23)29-27)19(25)13-9-11-14(12-10-13)20(26)16(22)6-2-4-8-18(24)30-28/h9-12,15-16,27-28H,1-8,21-22H2