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

Systemtic Name: [5,7-bis(chloranyl)-2,3-dihydro-1-benzofuran-2-yl]methyl-ethyl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: (5,7-dichloro-2,3-dihydrobenzofuran-2-yl)methyl-ethyl-ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: (5,7-dichloro-2,3-dihydrobenzofuran-2-yl)methyl-ethylammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: (5,7-dichloro-2,3-dihydro-1-benzofuran-2-yl)methyl-ethylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: (5,7-dichlorocoumaran-2-yl)methyl-ethyl-ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C15H17Cl2NO5 MolecularWeight: 362.20518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13Cl2NO.C4H4O4/c1-2-14-6-9-4-7-3-8(12)5-10(13)11(7)15-9;5-3(6)1-2-4(7)8/h3,5,9,14H,2,4,6H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-