3-[4,5-dimethoxy-2-oxidanyl-1,3-bis(oxidanylidene)isoindol-2-ium-2-yl]-3-(3-ethoxy-4-methoxy-phenyl)propanoic acid

Systemtic Name: 3-[4,5-dimethoxy-2-oxidanyl-1,3-bis(oxidanylidene)isoindol-2-ium-2-yl]-3-(3-ethoxy-4-methoxy-phenyl)propanoic acid Openeye Name: 3-(3-ethoxy-4-methoxy-phenyl)-3-(2-hydroxy-4,5-dimethoxy-1,3-dioxo-isoindolin-2-ium-2-yl)propanoic acid CAS Name: 3-(3-ethoxy-4-methoxyphenyl)-3-(2-hydroxy-4,5-dimethoxy-1,3-dioxo-2-isoindol-2-iumyl)propanoic acid IUPAC Name: 3-(3-ethoxy-4-methoxyphenyl)-3-(2-hydroxy-4,5-dimethoxy-1,3-dioxoisoindol-2-ium-2-yl)propanoic acid Traditional Name: 3-(3-ethoxy-4-methoxy-phenyl)-3-(2-hydroxy-1,3-diketo-4,5-dimethoxy-isoindolin-2-ium-2-yl)propionic acid Formula: C22H24NO9+ MolecularWeight: 446.42726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(CC(=O)O)[N+]2(C(=O)C3=C(C2=O)C(=C(C=C3)OC)OC)O)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(CC(=O)O)[N+]2(C(=O)C3=C(C2=O)C(=C(C=C3)OC)OC)O)OC

InChI

InChI=1S/C22H23NO9/c1-5-32-17-10-12(6-8-15(17)29-2)14(11-18(24)25)23(28)21(26)13-7-9-16(30-3)20(31-4)19(13)22(23)27/h6-10,14,28H,5,11H2,1-4H3/p+1