4-(4,4-dimethyl-3-oxidanylidene-pentyl)-1-(furan-2-yl)-1,2-diphenyl-pyrazolidin-1-ium-3,5-dione

Systemtic Name: 4-(4,4-dimethyl-3-oxidanylidene-pentyl)-1-(furan-2-yl)-1,2-diphenyl-pyrazolidin-1-ium-3,5-dione Openeye Name: 4-(4,4-dimethyl-3-oxo-pentyl)-1-(2-furyl)-1,2-diphenyl-pyrazolidin-1-ium-3,5-dione CAS Name: 4-(4,4-dimethyl-3-oxopentyl)-1-(2-furanyl)-1,2-diphenylpyrazolidin-1-ium-3,5-dione IUPAC Name: 4-(4,4-dimethyl-3-oxopentyl)-1-(furan-2-yl)-1,2-diphenylpyrazolidin-1-ium-3,5-dione Traditional Name: 1-(2-furyl)-4-(3-keto-4,4-dimethyl-pentyl)-1,2-diphenyl-pyrazolidin-1-ium-3,5-quinone Formula: C26H27N2O4+ MolecularWeight: 431.50358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CCC1C(=O)N([N+](C1=O)(C2=CC=CC=C2)C3=CC=CO3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)CCC1C(=O)N([N+](C1=O)(C2=CC=CC=C2)C3=CC=CO3)C4=CC=CC=C4

InChI

InChI=1S/C26H27N2O4/c1-26(2,3)22(29)17-16-21-24(30)27(19-11-6-4-7-12-19)28(25(21)31,23-15-10-18-32-23)20-13-8-5-9-14-20/h4-15,18,21H,16-17H2,1-3H3/q+1