3-(aminomethyl)-4-bromanyl-6,7-bis(oxidanyl)-3H-2-benzofuran-1-one hydrochloride

Systemtic Name: 3-(aminomethyl)-4-bromanyl-6,7-bis(oxidanyl)-3H-2-benzofuran-1-one hydrochloride Openeye Name: 3-(aminomethyl)-4-bromo-6,7-dihydroxy-3H-isobenzofuran-1-one hydrochloride CAS Name: 3-(aminomethyl)-4-bromo-6,7-dihydroxy-3H-isobenzofuran-1-one hydrochloride IUPAC Name: 3-(aminomethyl)-4-bromo-6,7-dihydroxy-3H-2-benzofuran-1-one hydrochloride Traditional Name: 3-(aminomethyl)-4-bromo-6,7-dihydroxy-phthalide hydrochloride Formula: C9H9BrClNO4 MolecularWeight: 310.52906

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C2C(=C1Br)C(OC2=O)CN)O)O.Cl

Isomeric SMILES

C1=C(C(=C2C(=C1Br)C(OC2=O)CN)O)O.Cl

InChI

InChI=1S/C9H8BrNO4.ClH/c10-3-1-4(12)8(13)7-6(3)5(2-11)15-9(7)14;/h1,5,12-13H,2,11H2;1H