2-[2-ethyl-4-[4-(2-methyl-2-oxidanyl-propanoyl)phenoxy]-1,3-bis(oxidanylidene)isoindol-2-ium-2-yl]ethanoate

Systemtic Name: 2-[2-ethyl-4-[4-(2-methyl-2-oxidanyl-propanoyl)phenoxy]-1,3-bis(oxidanylidene)isoindol-2-ium-2-yl]ethanoate Openeye Name: 2-[2-ethyl-4-[4-(2-hydroxy-2-methyl-propanoyl)phenoxy]-1,3-dioxo-isoindolin-2-ium-2-yl]acetate CAS Name: 2-[2-ethyl-4-[4-(2-hydroxy-2-methyl-1-oxopropyl)phenoxy]-1,3-dioxo-2-isoindol-2-iumyl]acetate IUPAC Name: 2-[2-ethyl-4-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]-1,3-dioxoisoindol-2-ium-2-yl]acetate Traditional Name: 2-[2-ethyl-4-[4-(2-hydroxy-2-methyl-propanoyl)phenoxy]-1,3-diketo-isoindolin-2-ium-2-yl]acetate Formula: C22H21NO7 MolecularWeight: 411.40464

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C(=O)C2=C(C1=O)C(=CC=C2)OC3=CC=C(C=C3)C(=O)C(C)(C)O)CC(=O)[O-]

Isomeric SMILES

CC[N+]1(C(=O)C2=C(C1=O)C(=CC=C2)OC3=CC=C(C=C3)C(=O)C(C)(C)O)CC(=O)[O-]

InChI

InChI=1S/C22H21NO7/c1-4-23(12-17(24)25)20(27)15-6-5-7-16(18(15)21(23)28)30-14-10-8-13(9-11-14)19(26)22(2,3)29/h5-11,29H,4,12H2,1-3H3