[6-chloranyl-3-(2-methoxy-2-oxidanylidene-ethyl)-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl]methyl-(4-methoxyphenyl)azanium chloride

Systemtic Name: [6-chloranyl-3-(2-methoxy-2-oxidanylidene-ethyl)-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl]methyl-(4-methoxyphenyl)azanium chloride Openeye Name: [6-chloro-7-hydroxy-3-(2-methoxy-2-oxo-ethyl)-4-methyl-2-oxo-chromen-8-yl]methyl-(4-methoxyphenyl)ammonium chloride CAS Name: [6-chloro-7-hydroxy-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-1-benzopyran-8-yl]methyl-(4-methoxyphenyl)ammonium chloride IUPAC Name: [6-chloro-7-hydroxy-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxochromen-8-yl]methyl-(4-methoxyphenyl)azanium chloride Traditional Name: [6-chloro-7-hydroxy-2-keto-3-(2-keto-2-methoxy-ethyl)-4-methyl-chromen-8-yl]methyl-(4-methoxyphenyl)ammonium chloride Formula: C21H21Cl2NO6 MolecularWeight: 454.30054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)O)C[NH2+]C3=CC=C(C=C3)OC)CC(=O)OC.[Cl-]

Isomeric SMILES

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)O)C[NH2+]C3=CC=C(C=C3)OC)CC(=O)OC.[Cl-]

InChI

InChI=1S/C21H20ClNO6.ClH/c1-11-14-8-17(22)19(25)16(10-23-12-4-6-13(27-2)7-5-12)20(14)29-21(26)15(11)9-18(24)28-3;/h4-8,23,25H,9-10H2,1-3H3;1H