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

Systemtic Name: aluminum 4-[3,5-bis(oxidanylidene)-1,2-diphenyl-pyrazolidin-4-yl]butanoate Openeye Name: aluminum 4-(3,5-dioxo-1,2-diphenyl-pyrazolidin-4-yl)butanoate CAS Name: aluminum 4-(3,5-dioxo-1,2-diphenyl-4-pyrazolidinyl)butanoate IUPAC Name: aluminum 4-(3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)butanoate Traditional Name: aluminum 4-(3,5-diketo-1,2-diphenyl-pyrazolidin-4-yl)butyrate Formula: C57H51AlN6O12 MolecularWeight: 1039.029378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)CCCC(=O)[O-].C1=CC=C(C=C1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)CCCC(=O)[O-].C1=CC=C(C=C1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)CCCC(=O)[O-].[Al+3]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)CCCC(=O)[O-].C1=CC=C(C=C1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)CCCC(=O)[O-].C1=CC=C(C=C1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)CCCC(=O)[O-].[Al+3]

InChI

InChI=1S/3C19H18N2O4.Al/c3*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;/h3*1-6,8-11,16H,7,12-13H2,(H,22,23);/q;;;+3/p-3