4-butyl-1-phenyl-pyrazolidine-3,5-dione; triphenyl phosphate

Systemtic Name: 4-butyl-1-phenyl-pyrazolidine-3,5-dione; triphenyl phosphate Openeye Name: 4-butyl-1-phenyl-pyrazolidine-3,5-dione; triphenyl phosphate CAS Name: 4-butyl-1-phenylpyrazolidine-3,5-dione; phosphoric acid triphenyl ester IUPAC Name: 4-butyl-1-phenylpyrazolidine-3,5-dione; triphenyl phosphate Traditional Name: 4-butyl-1-phenyl-pyrazolidine-3,5-quinone; phosphoric acid triphenyl ester Formula: C31H31N2O6P MolecularWeight: 558.561401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=O)NN(C1=O)C2=CC=CC=C2.C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CCCCC1C(=O)NN(C1=O)C2=CC=CC=C2.C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C18H15O4P.C13H16N2O2/c19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18;1-2-3-9-11-12(16)14-15(13(11)17)10-7-5-4-6-8-10/h1-15H;4-8,11H,2-3,9H2,1H3,(H,14,16)