4-butyl-4-(hydroxymethyl)-1,2-diphenyl-pyrazolidine-3,5-dione; decanoic acid

Systemtic Name: 4-butyl-4-(hydroxymethyl)-1,2-diphenyl-pyrazolidine-3,5-dione; decanoic acid Openeye Name: 4-butyl-4-(hydroxymethyl)-1,2-diphenyl-pyrazolidine-3,5-dione; decanoic acid CAS Name: 4-butyl-4-(hydroxymethyl)-1,2-diphenylpyrazolidine-3,5-dione; decanoic acid IUPAC Name: 4-butyl-4-(hydroxymethyl)-1,2-diphenylpyrazolidine-3,5-dione; decanoic acid Traditional Name: 4-butyl-4-methylol-1,2-diphenyl-pyrazolidine-3,5-quinone; capric acid Formula: C80H142N2O15 MolecularWeight: 1371.98788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)CO

Isomeric SMILES

CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)CO

InChI

InChI=1S/C20H22N2O3.6C10H20O2/c1-2-3-14-20(15-23)18(24)21(16-10-6-4-7-11-16)22(19(20)25)17-12-8-5-9-13-17;6*1-2-3-4-5-6-7-8-9-10(11)12/h4-13,23H,2-3,14-15H2,1H3;6*2-9H2,1H3,(H,11,12)