2-ethoxy-5-[3-(octadecanoylamino)-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonic acid

Systemtic Name: 2-ethoxy-5-[3-(octadecanoylamino)-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonic acid Openeye Name: 2-ethoxy-5-[3-(octadecanoylamino)-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid CAS Name: 2-ethoxy-5-[5-oxo-3-(1-oxooctadecylamino)-4H-pyrazol-1-yl]benzenesulfonic acid IUPAC Name: 2-ethoxy-5-[3-(octadecanoylamino)-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid Traditional Name: 2-ethoxy-5-(5-keto-3-stearamido-2-pyrazolin-1-yl)besylic acid Formula: C29H47N3O6S MolecularWeight: 565.76498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC1=NN(C(=O)C1)C2=CC(=C(C=C2)OCC)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC1=NN(C(=O)C1)C2=CC(=C(C=C2)OCC)S(=O)(=O)O

InChI

InChI=1S/C29H47N3O6S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(33)30-27-23-29(34)32(31-27)24-20-21-25(38-4-2)26(22-24)39(35,36)37/h20-22H,3-19,23H2,1-2H3,(H,30,31,33)(H,35,36,37)