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

Systemtic Name: [3-methyl-1-oxidanylidene-1-(4-oxidanylidene-3-phenoxy-chromen-7-yl)oxy-pentan-2-yl]azanium chloride Openeye Name: [2-methyl-1-(4-oxo-3-phenoxy-chromen-7-yl)oxycarbonyl-butyl]ammonium chloride CAS Name: [3-methyl-1-oxo-1-[(4-oxo-3-phenoxy-1-benzopyran-7-yl)oxy]pentan-2-yl]ammonium chloride IUPAC Name: [3-methyl-1-oxo-1-(4-oxo-3-phenoxychromen-7-yl)oxypentan-2-yl]azanium chloride Traditional Name: [1-(4-keto-3-phenoxy-chromen-7-yl)oxycarbonyl-2-methyl-butyl]ammonium chloride Formula: C21H22ClNO5 MolecularWeight: 403.85608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO5.ClH/c1-3-13(2)19(22)21(24)27-15-9-10-16-17(11-15)25-12-18(20(16)23)26-14-7-5-4-6-8-14;/h4-13,19H,3,22H2,1-2H3;1H