1,5-dimethyl-2-phenyl-pyrazol-3-one; [3,4,5,6-tetrakis(oxidanyl)-1-oxidanylidene-hexan-2-yl] 2-oxidanylidenepropanoate

Systemtic Name: 1,5-dimethyl-2-phenyl-pyrazol-3-one; [3,4,5,6-tetrakis(oxidanyl)-1-oxidanylidene-hexan-2-yl] 2-oxidanylidenepropanoate Openeye Name: 1,5-dimethyl-2-phenyl-pyrazol-3-one; (1-formyl-2,3,4,5-tetrahydroxy-pentyl) 2-oxopropanoate CAS Name: 1,5-dimethyl-2-phenyl-3-pyrazolone; 2-oxopropanoic acid (3,4,5,6-tetrahydroxy-1-oxohexan-2-yl) ester IUPAC Name: 1,5-dimethyl-2-phenylpyrazol-3-one; (3,4,5,6-tetrahydroxy-1-oxohexan-2-yl) 2-oxopropanoate Traditional Name: antipyrine; 2-ketopropionic acid (1-formyl-2,3,4,5-tetrahydroxy-pentyl) ester Formula: C20H26N2O9 MolecularWeight: 438.42844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(N1C)C2=CC=CC=C2.CC(=O)C(=O)OC(C=O)C(C(C(CO)O)O)O

Isomeric SMILES

CC1=CC(=O)N(N1C)C2=CC=CC=C2.CC(=O)C(=O)OC(C=O)C(C(C(CO)O)O)O

InChI

InChI=1S/C11H12N2O.C9H14O8/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10;1-4(12)9(16)17-6(3-11)8(15)7(14)5(13)2-10/h3-8H,1-2H3;3,5-8,10,13-15H,2H2,1H3