2-[(1-oxidanyl-1-oxidanylidene-butan-2-yl)peroxycarbamoyl]benzoic acid

Systemtic Name: 2-[(1-oxidanyl-1-oxidanylidene-butan-2-yl)peroxycarbamoyl]benzoic acid Openeye Name: 2-(1-carboxypropylperoxycarbamoyl)benzoic acid CAS Name: 2-[[(1-hydroxy-1-oxobutan-2-yl)dioxyamino]-oxomethyl]benzoic acid IUPAC Name: 2-[(1-hydroxy-1-oxobutan-2-yl)peroxycarbamoyl]benzoic acid Traditional Name: 2-(1-carboxypropylperoxycarbamoyl)benzoic acid Formula: C12H13NO7 MolecularWeight: 283.23412

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)OONC(=O)C1=CC=CC=C1C(=O)O

Isomeric SMILES

CCC(C(=O)O)OONC(=O)C1=CC=CC=C1C(=O)O

InChI

InChI=1S/C12H13NO7/c1-2-9(12(17)18)19-20-13-10(14)7-5-3-4-6-8(7)11(15)16/h3-6,9H,2H2,1H3,(H,13,14)(H,15,16)(H,17,18)