sodium 5-[3-(octadecanoylamino)-5-oxidanylidene-4-phenyldiazenyl-4H-pyrazol-1-yl]-2-phenoxy-benzenesulfonate

Systemtic Name: sodium 5-[3-(octadecanoylamino)-5-oxidanylidene-4-phenyldiazenyl-4H-pyrazol-1-yl]-2-phenoxy-benzenesulfonate Openeye Name: sodium 5-[3-(octadecanoylamino)-5-oxo-4-phenylazo-4H-pyrazol-1-yl]-2-phenoxy-benzenesulfonate CAS Name: sodium 5-[5-oxo-3-(1-oxooctadecylamino)-4-phenyldiazenyl-4H-pyrazol-1-yl]-2-phenoxybenzenesulfonate IUPAC Name: sodium 5-[3-(octadecanoylamino)-5-oxo-4-phenyldiazenyl-4H-pyrazol-1-yl]-2-phenoxybenzenesulfonate Traditional Name: sodium 5-(5-keto-4-phenylazo-3-stearamido-2-pyrazolin-1-yl)-2-phenoxy-besylate Formula: C39H50N5NaO6S MolecularWeight: 739.89897

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC1=NN(C(=O)C1N=NC2=CC=CC=C2)C3=CC(=C(C=C3)OC4=CC=CC=C4)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC1=NN(C(=O)C1N=NC2=CC=CC=C2)C3=CC(=C(C=C3)OC4=CC=CC=C4)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C39H51N5O6S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-27-36(45)40-38-37(42-41-31-23-18-16-19-24-31)39(46)44(43-38)32-28-29-34(35(30-32)51(47,48)49)50-33-25-20-17-21-26-33;/h16-21,23-26,28-30,37H,2-15,22,27H2,1H3,(H,40,43,45)(H,47,48,49);/q;+1/p-1