4-[6-(butylamino)-6-oxidanylidene-hexoxy]carbonyl-3-(dioxidanylmethyl)benzoic acid

Systemtic Name: 4-[6-(butylamino)-6-oxidanylidene-hexoxy]carbonyl-3-(dioxidanylmethyl)benzoic acid Openeye Name: 4-[6-(butylamino)-6-oxo-hexoxy]carbonyl-3-(hydroperoxymethyl)benzoic acid CAS Name: 4-[[6-(butylamino)-6-oxohexoxy]-oxomethyl]-3-(hydroperoxymethyl)benzoic acid IUPAC Name: 4-[6-(butylamino)-6-oxohexoxy]carbonyl-3-(hydroperoxymethyl)benzoic acid Traditional Name: 4-[6-(butylamino)-6-keto-hexoxy]carbonyl-3-(hydroperoxymethyl)benzoic acid Formula: C19H27NO7 MolecularWeight: 381.42018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27NO7/c1-2-3-10-20-17(21)7-5-4-6-11-26-19(24)16-9-8-14(18(22)23)12-15(16)13-27-25/h8-9,12,25H,2-7,10-11,13H2,1H3,(H,20,21)(H,22,23)