2-[(4-tert-butylperoxy-4-methyl-pentan-2-yl)oxycarbonylamino]-1,3-bis(oxidanylidene)isoindol-2-ium-2-carboxylic acid

Systemtic Name: 2-[(4-tert-butylperoxy-4-methyl-pentan-2-yl)oxycarbonylamino]-1,3-bis(oxidanylidene)isoindol-2-ium-2-carboxylic acid Openeye Name: 2-[(3-tert-butylperoxy-1,3-dimethyl-butoxy)carbonylamino]-1,3-dioxo-isoindolin-2-ium-2-carboxylic acid CAS Name: 2-[[(4-tert-butyldioxy-4-methylpentan-2-yl)oxy-oxomethyl]amino]-1,3-dioxo-2-isoindol-2-iumcarboxylic acid IUPAC Name: 2-[(4-tert-butylperoxy-4-methylpentan-2-yl)oxycarbonylamino]-1,3-dioxoisoindol-2-ium-2-carboxylic acid Traditional Name: 2-[(3-tert-butylperoxy-1,3-dimethyl-butoxy)carbonylamino]-1,3-diketo-isoindolin-2-ium-2-carboxylic acid Formula: C20H27N2O8+ MolecularWeight: 423.43698

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)(C)OOC(C)(C)C)OC(=O)N[N+]1(C(=O)C2=CC=CC=C2C1=O)C(=O)O

Isomeric SMILES

CC(CC(C)(C)OOC(C)(C)C)OC(=O)N[N+]1(C(=O)C2=CC=CC=C2C1=O)C(=O)O

InChI

InChI=1S/C20H26N2O8/c1-12(11-20(5,6)30-29-19(2,3)4)28-17(25)21-22(18(26)27)15(23)13-9-7-8-10-14(13)16(22)24/h7-10,12H,11H2,1-6H3,(H-,21,25,26,27)/p+1