4-[[4-(4-oxidanylidene-8-phenyl-chromen-2-yl)morpholin-4-ium-4-yl]methoxycarbonyl]benzoic acid

Systemtic Name: 4-[[4-(4-oxidanylidene-8-phenyl-chromen-2-yl)morpholin-4-ium-4-yl]methoxycarbonyl]benzoic acid Openeye Name: 4-[[4-(4-oxo-8-phenyl-chromen-2-yl)morpholin-4-ium-4-yl]methoxycarbonyl]benzoic acid CAS Name: 4-[oxo-[[4-(4-oxo-8-phenyl-1-benzopyran-2-yl)-4-morpholin-4-iumyl]methoxy]methyl]benzoic acid IUPAC Name: 4-[[4-(4-oxo-8-phenylchromen-2-yl)morpholin-4-ium-4-yl]methoxycarbonyl]benzoic acid Traditional Name: 4-[[4-(4-keto-8-phenyl-chromen-2-yl)morpholin-4-ium-4-yl]methoxycarbonyl]benzoic acid Formula: C28H24NO7+ MolecularWeight: 486.49266

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[N+]1(COC(=O)C2=CC=C(C=C2)C(=O)O)C3=CC(=O)C4=C(O3)C(=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1COCC[N+]1(COC(=O)C2=CC=C(C=C2)C(=O)O)C3=CC(=O)C4=C(O3)C(=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H23NO7/c30-24-17-25(36-26-22(7-4-8-23(24)26)19-5-2-1-3-6-19)29(13-15-34-16-14-29)18-35-28(33)21-11-9-20(10-12-21)27(31)32/h1-12,17H,13-16,18H2/p+1