[6-(butylamino)-6-oxidanylidene-hexyl] 2-(dioxidanylmethyl)-4-oxidanyl-benzoate

Systemtic Name: [6-(butylamino)-6-oxidanylidene-hexyl] 2-(dioxidanylmethyl)-4-oxidanyl-benzoate Openeye Name: [6-(butylamino)-6-oxo-hexyl] 2-(hydroperoxymethyl)-4-hydroxy-benzoate CAS Name: 2-(hydroperoxymethyl)-4-hydroxybenzoic acid [6-(butylamino)-6-oxohexyl] ester IUPAC Name: [6-(butylamino)-6-oxohexyl] 2-(hydroperoxymethyl)-4-hydroxybenzoate Traditional Name: 2-(hydroperoxymethyl)-4-hydroxy-benzoic acid [6-(butylamino)-6-keto-hexyl] ester Formula: C18H27NO6 MolecularWeight: 353.41008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CCCCCOC(=O)C1=C(C=C(C=C1)O)COO

Isomeric SMILES

CCCCNC(=O)CCCCCOC(=O)C1=C(C=C(C=C1)O)COO

InChI

InChI=1S/C18H27NO6/c1-2-3-10-19-17(21)7-5-4-6-11-24-18(22)16-9-8-15(20)12-14(16)13-25-23/h8-9,12,20,23H,2-7,10-11,13H2,1H3,(H,19,21)