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

Systemtic Name: (7-chloranyl-2,3-dihydro-1-benzofuran-2-yl)methyl-propan-2-yl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: (7-chloro-2,3-dihydrobenzofuran-2-yl)methyl-isopropyl-ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: (7-chloro-2,3-dihydrobenzofuran-2-yl)methyl-propan-2-ylammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: (7-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-propan-2-ylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: (7-chlorocoumaran-2-yl)methyl-isopropyl-ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C16H20ClNO5 MolecularWeight: 341.7867

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH2+]CC1CC2=C(O1)C(=CC=C2)Cl.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CC(C)[NH2+]CC1CC2=C(O1)C(=CC=C2)Cl.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C12H16ClNO.C4H4O4/c1-8(2)14-7-10-6-9-4-3-5-11(13)12(9)15-10;5-3(6)1-2-4(7)8/h3-5,8,10,14H,6-7H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-