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

Systemtic Name: 2-[(1-oxidanyl-1-oxidanylidene-hexan-2-yl)peroxycarbamoyl]benzoic acid Openeye Name: 2-(1-carboxypentylperoxycarbamoyl)benzoic acid CAS Name: 2-[[(1-hydroxy-1-oxohexan-2-yl)dioxyamino]-oxomethyl]benzoic acid IUPAC Name: 2-[(1-hydroxy-1-oxohexan-2-yl)peroxycarbamoyl]benzoic acid Traditional Name: 2-(1-carboxypentylperoxycarbamoyl)benzoic acid Formula: C14H17NO7 MolecularWeight: 311.28728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO7/c1-2-3-8-11(14(19)20)21-22-15-12(16)9-6-4-5-7-10(9)13(17)18/h4-7,11H,2-3,8H2,1H3,(H,15,16)(H,17,18)(H,19,20)