4-[4-[1-oxidanyl-6-(oxidanylamino)-6-oxidanylidene-hexyl]phenyl]benzoic acid

Systemtic Name: 4-[4-[1-oxidanyl-6-(oxidanylamino)-6-oxidanylidene-hexyl]phenyl]benzoic acid Openeye Name: 4-[4-[1-hydroxy-6-(hydroxyamino)-6-oxo-hexyl]phenyl]benzoic acid CAS Name: 4-[4-[1-hydroxy-6-(hydroxyamino)-6-oxohexyl]phenyl]benzoic acid IUPAC Name: 4-[4-[1-hydroxy-6-(hydroxyamino)-6-oxohexyl]phenyl]benzoic acid Traditional Name: 4-[4-[1-hydroxy-6-(hydroxyamino)-6-keto-hexyl]phenyl]benzoic acid Formula: C19H21NO5 MolecularWeight: 343.37374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(C=C2)C(=O)O)C(CCCCC(=O)NO)O

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)C(=O)O)C(CCCCC(=O)NO)O

InChI

InChI=1S/C19H21NO5/c21-17(3-1-2-4-18(22)20-25)15-9-5-13(6-10-15)14-7-11-16(12-8-14)19(23)24/h5-12,17,21,25H,1-4H2,(H,20,22)(H,23,24)