[4-butyl-3,5-bis(oxidanylidene)-1,2-diphenyl-pyrazolidin-4-yl]methyl hexadecanoate

Systemtic Name: [4-butyl-3,5-bis(oxidanylidene)-1,2-diphenyl-pyrazolidin-4-yl]methyl hexadecanoate Openeye Name: (4-butyl-3,5-dioxo-1,2-diphenyl-pyrazolidin-4-yl)methyl hexadecanoate CAS Name: hexadecanoic acid (4-butyl-3,5-dioxo-1,2-diphenyl-4-pyrazolidinyl)methyl ester IUPAC Name: (4-butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)methyl hexadecanoate Traditional Name: palmitic acid (4-butyl-3,5-diketo-1,2-diphenyl-pyrazolidin-4-yl)methyl ester Formula: C36H52N2O4 MolecularWeight: 576.80908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)CCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)CCCC

InChI

InChI=1S/C36H52N2O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-23-28-33(39)42-30-36(29-6-4-2)34(40)37(31-24-19-17-20-25-31)38(35(36)41)32-26-21-18-22-27-32/h17-22,24-27H,3-16,23,28-30H2,1-2H3