3-[(dibutylamino)methyl]-4,5,6-tris(oxidanyl)-3H-2-benzofuran-1-one hydrochloride

Systemtic Name: 3-[(dibutylamino)methyl]-4,5,6-tris(oxidanyl)-3H-2-benzofuran-1-one hydrochloride Openeye Name: 3-[(dibutylamino)methyl]-4,5,6-trihydroxy-3H-isobenzofuran-1-one hydrochloride CAS Name: 3-[(dibutylamino)methyl]-4,5,6-trihydroxy-3H-isobenzofuran-1-one hydrochloride IUPAC Name: 3-[(dibutylamino)methyl]-4,5,6-trihydroxy-3H-2-benzofuran-1-one hydrochloride Traditional Name: 3-[(dibutylamino)methyl]-4,5,6-trihydroxy-phthalide hydrochloride Formula: C17H26ClNO5 MolecularWeight: 359.84504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CC1C2=C(C(=C(C=C2C(=O)O1)O)O)O.Cl

Isomeric SMILES

CCCCN(CCCC)CC1C2=C(C(=C(C=C2C(=O)O1)O)O)O.Cl

InChI

InChI=1S/C17H25NO5.ClH/c1-3-5-7-18(8-6-4-2)10-13-14-11(17(22)23-13)9-12(19)15(20)16(14)21;/h9,13,19-21H,3-8,10H2,1-2H3;1H