4-(butylcarbamoyl)-3-(dioxidanylmethyl)benzoic acid

Systemtic Name: 4-(butylcarbamoyl)-3-(dioxidanylmethyl)benzoic acid Openeye Name: 4-(butylcarbamoyl)-3-(hydroperoxymethyl)benzoic acid CAS Name: 4-[butylamino(oxo)methyl]-3-(hydroperoxymethyl)benzoic acid IUPAC Name: 4-(butylcarbamoyl)-3-(hydroperoxymethyl)benzoic acid Traditional Name: 4-(butylcarbamoyl)-3-(hydroperoxymethyl)benzoic acid Formula: C13H17NO5 MolecularWeight: 267.27778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO5/c1-2-3-6-14-12(15)11-5-4-9(13(16)17)7-10(11)8-19-18/h4-5,7,18H,2-3,6,8H2,1H3,(H,14,15)(H,16,17)