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Substance Name: Benzenesulfonic acid, 4-(1-(((1-(2-chloro-4,6-dimethylphenyl)-4,5-dihydro-5-oxo-1H-pyrazol-3-yl)amino)carbonyl)propoxy)-2-pentadecyl-
RN: 63181-82-8
InChIKey: NTLDJLGEIMFHKZ-UHFFFAOYSA-N

Molecular Formula

  • C36-H52-Cl-N3-O6-S

Molecular Weight

  • 690.341
 
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Names and Synonyms

  • Benzenesulfonic acid, 4-(1-(((1-(2-chloro-4,6-dimethylphenyl)-4,5-dihydro-5-oxo-1H-pyrazol-3-yl)amino)carbonyl)propoxy)-2-pentadecyl-

Registry Numbers

CAS Registry Number

  • 63181-82-8

System Generated Number

  • 0063181828

Structure Descriptors

InChI

1S/C36H52ClN3O6S/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-28-24-29(20-21-32(28)47(43,44)45)46-31(6-2)36(42)38-33-25-34(41)40(39-33)35-27(4)22-26(3)23-30(35)37/h20-24,31H,5-19,25H2,1-4H3,(H,38,39,42)(H,43,44,45)

InChIKey

NTLDJLGEIMFHKZ-UHFFFAOYSA-N

Smiles

C(CCCCCCCCCCCCC)Cc1c(ccc(O[C@@H](C(=O)\N=C2\NN(C(=O)C2)c2c(cc(cc2Cl)C)C)CC)c1)S(=O)(=O)O