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

Systemtic Name: [3,5-bis(oxidanylidene)-4-(3-oxidanylidene-3-phenyl-propyl)-1,2-diphenyl-pyrazolidin-4-yl]methyl hexadecanoate Openeye Name: [3,5-dioxo-4-(3-oxo-3-phenyl-propyl)-1,2-diphenyl-pyrazolidin-4-yl]methyl hexadecanoate CAS Name: hexadecanoic acid [3,5-dioxo-4-(3-oxo-3-phenylpropyl)-1,2-diphenyl-4-pyrazolidinyl]methyl ester IUPAC Name: [3,5-dioxo-4-(3-oxo-3-phenylpropyl)-1,2-diphenylpyrazolidin-4-yl]methyl hexadecanoate Traditional Name: palmitic acid [3,5-diketo-4-(3-keto-3-phenyl-propyl)-1,2-diphenyl-pyrazolidin-4-yl]methyl ester Formula: C41H52N2O5 MolecularWeight: 652.86198

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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)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)CCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C41H52N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-23-30-38(45)48-33-41(32-31-37(44)34-24-17-14-18-25-34)39(46)42(35-26-19-15-20-27-35)43(40(41)47)36-28-21-16-22-29-36/h14-22,24-29H,2-13,23,30-33H2,1H3