3-(1-azanylpropyl)-6,7-bis(oxidanyl)-3H-2-benzofuran-1-one hydrobromide

Systemtic Name: 3-(1-azanylpropyl)-6,7-bis(oxidanyl)-3H-2-benzofuran-1-one hydrobromide Openeye Name: 3-(1-aminopropyl)-6,7-dihydroxy-3H-isobenzofuran-1-one hydrobromide CAS Name: 3-(1-aminopropyl)-6,7-dihydroxy-3H-isobenzofuran-1-one hydrobromide IUPAC Name: 3-(1-aminopropyl)-6,7-dihydroxy-3H-2-benzofuran-1-one hydrobromide Traditional Name: 3-(1-aminopropyl)-6,7-dihydroxy-phthalide hydrobromide Formula: C11H14BrNO4 MolecularWeight: 304.13716

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1C2=C(C(=C(C=C2)O)O)C(=O)O1)N.Br

Isomeric SMILES

CCC(C1C2=C(C(=C(C=C2)O)O)C(=O)O1)N.Br

InChI

InChI=1S/C11H13NO4.BrH/c1-2-6(12)10-5-3-4-7(13)9(14)8(5)11(15)16-10;/h3-4,6,10,13-14H,2,12H2,1H3;1H