[3-(3-ethoxy-3-oxidanylidene-propyl)-4,8-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-6-yl]methyl-(4-methoxycarbonylphenyl)azanium chloride

Systemtic Name: [3-(3-ethoxy-3-oxidanylidene-propyl)-4,8-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-6-yl]methyl-(4-methoxycarbonylphenyl)azanium chloride Openeye Name: [3-(3-ethoxy-3-oxo-propyl)-7-hydroxy-4,8-dimethyl-2-oxo-chromen-6-yl]methyl-(4-methoxycarbonylphenyl)ammonium chloride CAS Name: [3-(3-ethoxy-3-oxopropyl)-7-hydroxy-4,8-dimethyl-2-oxo-1-benzopyran-6-yl]methyl-(4-methoxycarbonylphenyl)ammonium chloride IUPAC Name: [3-(3-ethoxy-3-oxopropyl)-7-hydroxy-4,8-dimethyl-2-oxochromen-6-yl]methyl-(4-methoxycarbonylphenyl)azanium chloride Traditional Name: (4-carbomethoxyphenyl)-[[3-(3-ethoxy-3-keto-propyl)-7-hydroxy-2-keto-4,8-dimethyl-chromen-6-yl]methyl]ammonium chloride Formula: C25H28ClNO7 MolecularWeight: 489.94532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(C2=CC(=C(C(=C2OC1=O)C)O)C[NH2+]C3=CC=C(C=C3)C(=O)OC)C.[Cl-]

Isomeric SMILES

CCOC(=O)CCC1=C(C2=CC(=C(C(=C2OC1=O)C)O)C[NH2+]C3=CC=C(C=C3)C(=O)OC)C.[Cl-]

InChI

InChI=1S/C25H27NO7.ClH/c1-5-32-21(27)11-10-19-14(2)20-12-17(22(28)15(3)23(20)33-25(19)30)13-26-18-8-6-16(7-9-18)24(29)31-4;/h6-9,12,26,28H,5,10-11,13H2,1-4H3;1H