2-[[6-(dioxidanyl)-6-oxidanylidene-hexyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[6-(dioxidanyl)-6-oxidanylidene-hexyl]carbamoyl]benzoic acid Openeye Name: 2-[(6-hydroperoxy-6-oxo-hexyl)carbamoyl]benzoic acid CAS Name: 2-[[(6-hydroperoxy-6-oxohexyl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[(6-hydroperoxy-6-oxohexyl)carbamoyl]benzoic acid Traditional Name: 2-[(6-hydroperoxy-6-keto-hexyl)carbamoyl]benzoic acid Formula: C14H17NO6 MolecularWeight: 295.28788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCCCCCC(=O)OO)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCCCCCC(=O)OO)C(=O)O

InChI

InChI=1S/C14H17NO6/c16-12(21-20)8-2-1-5-9-15-13(17)10-6-3-4-7-11(10)14(18)19/h3-4,6-7,20H,1-2,5,8-9H2,(H,15,17)(H,18,19)