methyl 4-[4-[1-oxidanyl-6-(oxidanylamino)-6-oxidanylidene-hexyl]phenyl]benzoate

Systemtic Name: methyl 4-[4-[1-oxidanyl-6-(oxidanylamino)-6-oxidanylidene-hexyl]phenyl]benzoate Openeye Name: methyl 4-[4-[1-hydroxy-6-(hydroxyamino)-6-oxo-hexyl]phenyl]benzoate CAS Name: 4-[4-[1-hydroxy-6-(hydroxyamino)-6-oxohexyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[1-hydroxy-6-(hydroxyamino)-6-oxohexyl]phenyl]benzoate Traditional Name: 4-[4-[1-hydroxy-6-(hydroxyamino)-6-keto-hexyl]phenyl]benzoic acid methyl ester Formula: C20H23NO5 MolecularWeight: 357.40032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO5/c1-26-20(24)17-12-8-15(9-13-17)14-6-10-16(11-7-14)18(22)4-2-3-5-19(23)21-25/h6-13,18,22,25H,2-5H2,1H3,(H,21,23)