[5,7-bis(chloranyl)-2,3-dihydro-1-benzofuran-2-yl]methyl-propan-2-yl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: [5,7-bis(chloranyl)-2,3-dihydro-1-benzofuran-2-yl]methyl-propan-2-yl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: (5,7-dichloro-2,3-dihydrobenzofuran-2-yl)methyl-isopropyl-ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: (5,7-dichloro-2,3-dihydrobenzofuran-2-yl)methyl-propan-2-ylammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: (5,7-dichloro-2,3-dihydro-1-benzofuran-2-yl)methyl-propan-2-ylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: (5,7-dichlorocoumaran-2-yl)methyl-isopropyl-ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C16H19Cl2NO5 MolecularWeight: 376.23176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH2+]CC1CC2=CC(=CC(=C2O1)Cl)Cl.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CC(C)[NH2+]CC1CC2=CC(=CC(=C2O1)Cl)Cl.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C12H15Cl2NO.C4H4O4/c1-7(2)15-6-10-4-8-3-9(13)5-11(14)12(8)16-10;5-3(6)1-2-4(7)8/h3,5,7,10,15H,4,6H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-