(2-methyl-1-oxidanyl-propan-2-yl)-[2-oxidanyl-3-(9-oxidanylidenexanthen-3-yl)oxy-propyl]azanium chloride

Systemtic Name: (2-methyl-1-oxidanyl-propan-2-yl)-[2-oxidanyl-3-(9-oxidanylidenexanthen-3-yl)oxy-propyl]azanium chloride Openeye Name: (2-hydroxy-1,1-dimethyl-ethyl)-[2-hydroxy-3-(9-oxoxanthen-3-yl)oxy-propyl]ammonium chloride CAS Name: (1-hydroxy-2-methylpropan-2-yl)-[2-hydroxy-3-[(9-oxo-3-xanthenyl)oxy]propyl]ammonium chloride IUPAC Name: (1-hydroxy-2-methylpropan-2-yl)-[2-hydroxy-3-(9-oxoxanthen-3-yl)oxypropyl]azanium chloride Traditional Name: (2-hydroxy-1,1-dimethyl-ethyl)-[2-hydroxy-3-(9-ketoxanthen-3-yl)oxy-propyl]ammonium chloride Formula: C20H24ClNO5 MolecularWeight: 393.86126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)[NH2+]CC(COC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3O2)O.[Cl-]

Isomeric SMILES

CC(C)(CO)[NH2+]CC(COC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3O2)O.[Cl-]

InChI

InChI=1S/C20H23NO5.ClH/c1-20(2,12-22)21-10-13(23)11-25-14-7-8-16-18(9-14)26-17-6-4-3-5-15(17)19(16)24;/h3-9,13,21-23H,10-12H2,1-2H3;1H