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

Systemtic Name: [3-(2-methoxy-2-oxidanylidene-ethyl)-4,8-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-6-yl]methyl-(4-phenoxyphenyl)azanium chloride Openeye Name: [7-hydroxy-3-(2-methoxy-2-oxo-ethyl)-4,8-dimethyl-2-oxo-chromen-6-yl]methyl-(4-phenoxyphenyl)ammonium chloride CAS Name: [7-hydroxy-3-(2-methoxy-2-oxoethyl)-4,8-dimethyl-2-oxo-1-benzopyran-6-yl]methyl-(4-phenoxyphenyl)ammonium chloride IUPAC Name: [7-hydroxy-3-(2-methoxy-2-oxoethyl)-4,8-dimethyl-2-oxochromen-6-yl]methyl-(4-phenoxyphenyl)azanium chloride Traditional Name: [7-hydroxy-2-keto-3-(2-keto-2-methoxy-ethyl)-4,8-dimethyl-chromen-6-yl]methyl-(4-phenoxyphenyl)ammonium chloride Formula: C27H26ClNO6 MolecularWeight: 495.95144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C(C(=C(C=C12)C[NH2+]C3=CC=C(C=C3)OC4=CC=CC=C4)O)C)CC(=O)OC.[Cl-]

Isomeric SMILES

CC1=C(C(=O)OC2=C(C(=C(C=C12)C[NH2+]C3=CC=C(C=C3)OC4=CC=CC=C4)O)C)CC(=O)OC.[Cl-]

InChI

InChI=1S/C27H25NO6.ClH/c1-16-22-13-18(25(30)17(2)26(22)34-27(31)23(16)14-24(29)32-3)15-28-19-9-11-21(12-10-19)33-20-7-5-4-6-8-20;/h4-13,28,30H,14-15H2,1-3H3;1H