5-[4-[(1-decyl-3,5-dimethyl-pyrazol-4-yl)hydrazinylidene]-3-(octadecanoylamino)-5-oxidanylidene-pyrazol-1-yl]-2-phenoxy-benzenesulfonate

Systemtic Name: 5-[4-[(1-decyl-3,5-dimethyl-pyrazol-4-yl)hydrazinylidene]-3-(octadecanoylamino)-5-oxidanylidene-pyrazol-1-yl]-2-phenoxy-benzenesulfonate Openeye Name: 5-[4-[(1-decyl-3,5-dimethyl-pyrazol-4-yl)hydrazono]-3-(octadecanoylamino)-5-oxo-pyrazol-1-yl]-2-phenoxy-benzenesulfonate CAS Name: 5-[4-[(1-decyl-3,5-dimethyl-4-pyrazolyl)hydrazinylidene]-5-oxo-3-(1-oxooctadecylamino)-1-pyrazolyl]-2-phenoxybenzenesulfonate IUPAC Name: 5-[4-[(1-decyl-3,5-dimethylpyrazol-4-yl)hydrazinylidene]-3-(octadecanoylamino)-5-oxopyrazol-1-yl]-2-phenoxybenzenesulfonate Traditional Name: 5-[4-[(1-decyl-3,5-dimethyl-pyrazol-4-yl)hydrazono]-5-keto-3-stearamido-2-pyrazolin-1-yl]-2-phenoxy-besylate Formula: C48H72N7O6S- MolecularWeight: 875.19358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC1=NN(C(=O)C1=NNC2=C(N(N=C2C)CCCCCCCCCC)C)C3=CC(=C(C=C3)OC4=CC=CC=C4)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC1=NN(C(=O)C1=NNC2=C(N(N=C2C)CCCCCCCCCC)C)C3=CC(=C(C=C3)OC4=CC=CC=C4)S(=O)(=O)[O-]

InChI

InChI=1S/C48H73N7O6S/c1-5-7-9-11-13-15-16-17-18-19-20-21-22-24-29-33-44(56)49-47-46(51-50-45-38(3)52-54(39(45)4)36-30-25-23-14-12-10-8-6-2)48(57)55(53-47)40-34-35-42(43(37-40)62(58,59)60)61-41-31-27-26-28-32-41/h26-28,31-32,34-35,37,50H,5-25,29-30,33,36H2,1-4H3,(H,49,53,56)(H,58,59,60)/p-1