2-[3-[4,4-bis(chloranyl)-5-oxidanylidene-1-phenyl-pyrazol-3-yl]-2-oxidanylidene-propyl]icosanoic acid

Systemtic Name: 2-[3-[4,4-bis(chloranyl)-5-oxidanylidene-1-phenyl-pyrazol-3-yl]-2-oxidanylidene-propyl]icosanoic acid Openeye Name: 2-[3-(4,4-dichloro-5-oxo-1-phenyl-pyrazol-3-yl)-2-oxo-propyl]icosanoic acid CAS Name: 2-[3-(4,4-dichloro-5-oxo-1-phenyl-3-pyrazolyl)-2-oxopropyl]eicosanoic acid IUPAC Name: 2-[3-(4,4-dichloro-5-oxo-1-phenylpyrazol-3-yl)-2-oxopropyl]icosanoic acid Traditional Name: 2-[3-(4,4-dichloro-5-keto-1-phenyl-2-pyrazolin-3-yl)-2-keto-propyl]arachidic acid Formula: C32H48Cl2N2O4 MolecularWeight: 595.64052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CC(=O)CC1=NN(C(=O)C1(Cl)Cl)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CC(=O)CC1=NN(C(=O)C1(Cl)Cl)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C32H48Cl2N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-26(30(38)39)24-28(37)25-29-32(33,34)31(40)36(35-29)27-22-19-17-20-23-27/h17,19-20,22-23,26H,2-16,18,21,24-25H2,1H3,(H,38,39)