4-[3,5-bis(oxidanylidene)-1,2-diphenyl-pyrazolidin-4-yl]butanoate; tetrahexylazanium

Systemtic Name: 4-[3,5-bis(oxidanylidene)-1,2-diphenyl-pyrazolidin-4-yl]butanoate; tetrahexylazanium Openeye Name: 4-(3,5-dioxo-1,2-diphenyl-pyrazolidin-4-yl)butanoate; tetrahexylammonium CAS Name: 4-(3,5-dioxo-1,2-diphenyl-4-pyrazolidinyl)butanoate; tetrahexylammonium IUPAC Name: 4-(3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)butanoate; tetrahexylazanium Traditional Name: 4-(3,5-diketo-1,2-diphenyl-pyrazolidin-4-yl)butyrate; tetrahexylammonium Formula: C43H69N3O4 MolecularWeight: 692.02566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.C1=CC=C(C=C1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)CCCC(=O)[O-]

Isomeric SMILES

CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.C1=CC=C(C=C1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)CCCC(=O)[O-]

InChI

InChI=1S/C24H52N.C19H18N2O4/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4;22-17(23)13-7-12-16-18(24)20(14-8-3-1-4-9-14)21(19(16)25)15-10-5-2-6-11-15/h5-24H2,1-4H3;1-6,8-11,16H,7,12-13H2,(H,22,23)/q+1;/p-1