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

Systemtic Name: [3,5-bis(oxidanylidene)-4-(3-oxidanylidenebutyl)-1,2-diphenyl-pyrazolidin-4-yl]methyl hexadecanoate Openeye Name: [3,5-dioxo-4-(3-oxobutyl)-1,2-diphenyl-pyrazolidin-4-yl]methyl hexadecanoate CAS Name: hexadecanoic acid [3,5-dioxo-4-(3-oxobutyl)-1,2-diphenyl-4-pyrazolidinyl]methyl ester IUPAC Name: [3,5-dioxo-4-(3-oxobutyl)-1,2-diphenylpyrazolidin-4-yl]methyl hexadecanoate Traditional Name: palmitic acid [3,5-diketo-4-(3-ketobutyl)-1,2-diphenyl-pyrazolidin-4-yl]methyl ester Formula: C36H50N2O5 MolecularWeight: 590.7926

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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)CCC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C36H50N2O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-21-26-33(40)43-29-36(28-27-30(2)39)34(41)37(31-22-17-15-18-23-31)38(35(36)42)32-24-19-16-20-25-32/h15-20,22-25H,3-14,21,26-29H2,1-2H3