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

Systemtic Name: 2,3-dihydro-1-benzofuran-2-ylmethyl(propan-2-yl)azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: 2,3-dihydrobenzofuran-2-ylmethyl(isopropyl)ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: 2,3-dihydrobenzofuran-2-ylmethyl(propan-2-yl)ammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: 2,3-dihydro-1-benzofuran-2-ylmethyl(propan-2-yl)azanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: coumaran-2-ylmethyl(isopropyl)ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C16H21NO5 MolecularWeight: 307.34164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO.C4H4O4/c1-9(2)13-8-11-7-10-5-3-4-6-12(10)14-11;5-3(6)1-2-4(7)8/h3-6,9,11,13H,7-8H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-