[(2R)-3-methyl-1-oxidanylidene-1-(4-oxidanylidene-3-phenoxy-chromen-7-yl)oxy-butan-2-yl]azanium chloride

Systemtic Name: [(2R)-3-methyl-1-oxidanylidene-1-(4-oxidanylidene-3-phenoxy-chromen-7-yl)oxy-butan-2-yl]azanium chloride Openeye Name: [(1R)-2-methyl-1-(4-oxo-3-phenoxy-chromen-7-yl)oxycarbonyl-propyl]ammonium chloride CAS Name: [(2R)-3-methyl-1-oxo-1-[(4-oxo-3-phenoxy-1-benzopyran-7-yl)oxy]butan-2-yl]ammonium chloride IUPAC Name: [(2R)-3-methyl-1-oxo-1-(4-oxo-3-phenoxychromen-7-yl)oxybutan-2-yl]azanium chloride Traditional Name: [(1R)-1-(4-keto-3-phenoxy-chromen-7-yl)oxycarbonyl-2-methyl-propyl]ammonium chloride Formula: C20H20ClNO5 MolecularWeight: 389.8295

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=CC=C3)[NH3+].[Cl-]

Isomeric SMILES

CC(C)[C@H](C(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=CC=C3)[NH3+].[Cl-]

InChI

InChI=1S/C20H19NO5.ClH/c1-12(2)18(21)20(23)26-14-8-9-15-16(10-14)24-11-17(19(15)22)25-13-6-4-3-5-7-13;/h3-12,18H,21H2,1-2H3;1H/t18-;/m1./s1