(6-chloranyl-7-oxidanyl-2-oxidanylidene-4-phenyl-chromen-8-yl)methyl-(oxolan-2-ylmethyl)azanium chloride

Systemtic Name: (6-chloranyl-7-oxidanyl-2-oxidanylidene-4-phenyl-chromen-8-yl)methyl-(oxolan-2-ylmethyl)azanium chloride Openeye Name: (6-chloro-7-hydroxy-2-oxo-4-phenyl-chromen-8-yl)methyl-(tetrahydrofuran-2-ylmethyl)ammonium chloride CAS Name: (6-chloro-7-hydroxy-2-oxo-4-phenyl-1-benzopyran-8-yl)methyl-(2-oxolanylmethyl)ammonium chloride IUPAC Name: (6-chloro-7-hydroxy-2-oxo-4-phenylchromen-8-yl)methyl-(oxolan-2-ylmethyl)azanium chloride Traditional Name: (6-chloro-7-hydroxy-2-keto-4-phenyl-chromen-8-yl)methyl-(tetrahydrofurfuryl)ammonium chloride Formula: C21H21Cl2NO4 MolecularWeight: 422.30174

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C[NH2+]CC2=C3C(=CC(=C2O)Cl)C(=CC(=O)O3)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

C1CC(OC1)C[NH2+]CC2=C3C(=CC(=C2O)Cl)C(=CC(=O)O3)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C21H20ClNO4.ClH/c22-18-9-16-15(13-5-2-1-3-6-13)10-19(24)27-21(16)17(20(18)25)12-23-11-14-7-4-8-26-14;/h1-3,5-6,9-10,14,23,25H,4,7-8,11-12H2;1H