4-[[6-tert-butyl-2-(3-dodecylsulfonylpropyl)-5H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]oxy]benzoic acid

Systemtic Name: 4-[[6-tert-butyl-2-(3-dodecylsulfonylpropyl)-5H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]oxy]benzoic acid Openeye Name: 4-[[6-tert-butyl-2-(3-dodecylsulfonylpropyl)-5H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]oxy]benzoic acid CAS Name: 4-[[6-tert-butyl-2-(3-dodecylsulfonylpropyl)-5H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]oxy]benzoic acid IUPAC Name: 4-[[6-tert-butyl-2-(3-dodecylsulfonylpropyl)-5H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]oxy]benzoic acid Traditional Name: 4-[[6-tert-butyl-2-(3-laurylsulfonylpropyl)-5H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]oxy]benzoic acid Formula: C30H46N4O5S MolecularWeight: 574.77504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS(=O)(=O)CCCC1=NN2C(=N1)C(=C(N2)C(C)(C)C)OC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCS(=O)(=O)CCCC1=NN2C(=N1)C(=C(N2)C(C)(C)C)OC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C30H46N4O5S/c1-5-6-7-8-9-10-11-12-13-14-21-40(37,38)22-15-16-25-31-28-26(27(30(2,3)4)33-34(28)32-25)39-24-19-17-23(18-20-24)29(35)36/h17-20,33H,5-16,21-22H2,1-4H3,(H,35,36)