2-[1,3-bis(oxidanylidene)isoindol-2-yl]-1-oxidanidyl-5-oxidanylidene-3-(5-phenylmethoxypentyl)pyrazolidin-1-ium-1,3-dicarboxylic acid

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-1-oxidanidyl-5-oxidanylidene-3-(5-phenylmethoxypentyl)pyrazolidin-1-ium-1,3-dicarboxylic acid Openeye Name: 3-(5-benzyloxypentyl)-2-(1,3-dioxoisoindolin-2-yl)-1-oxido-5-oxo-pyrazolidin-1-ium-1,3-dicarboxylic acid CAS Name: 2-(1,3-dioxo-2-isoindolyl)-1-oxido-5-oxo-3-(5-phenylmethoxypentyl)pyrazolidin-1-ium-1,3-dicarboxylic acid IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-1-oxido-5-oxo-3-(5-phenylmethoxypentyl)pyrazolidin-1-ium-1,3-dicarboxylic acid Traditional Name: 3-(5-benzoxypentyl)-5-keto-1-oxido-2-phthalimido-pyrazolidin-1-ium-1,3-dicarboxylic acid Formula: C25H25N3O9 MolecularWeight: 511.4807

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)[N+](N(C1(CCCCCOCC2=CC=CC=C2)C(=O)O)N3C(=O)C4=CC=CC=C4C3=O)(C(=O)O)[O-]

Isomeric SMILES

C1C(=O)[N+](N(C1(CCCCCOCC2=CC=CC=C2)C(=O)O)N3C(=O)C4=CC=CC=C4C3=O)(C(=O)O)[O-]

InChI

InChI=1S/C25H25N3O9/c29-20-15-25(23(32)33,13-7-2-8-14-37-16-17-9-3-1-4-10-17)27(28(20,36)24(34)35)26-21(30)18-11-5-6-12-19(18)22(26)31/h1,3-6,9-12H,2,7-8,13-16H2,(H,32,33)(H,34,35)