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Substance Name: 1-((1-Benzyl-4,5-dihydro-5-oxo-1H-pyrazol-3-yl)amino)-1-oxodocosane-2-sulphonic acid
RN: 85187-25-3
InChIKey: OTTPKZJATIFDTG-UHFFFAOYSA-N

Molecular Formula

  • C32-H53-N3-O5-S

Molecular Weight

  • 591.8527
 
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Names and Synonyms

Synonym

  • EINECS 286-113-8

Systematic Name

  • 1-((1-Benzyl-4,5-dihydro-5-oxo-1H-pyrazol-3-yl)amino)-1-oxodocosane-2-sulphonic acid

Registry Numbers

CAS Registry Number

  • 85187-25-3

System Generated Number

  • 0085187253

Structure Descriptors

InChI

1S/C32H53N3O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-29(41(38,39)40)32(37)33-30-26-31(36)35(34-30)27-28-23-20-19-21-24-28/h19-21,23-24,29H,2-18,22,25-27H2,1H3,(H,33,34,37)(H,38,39,40)

InChIKey

OTTPKZJATIFDTG-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCCCCCCC(C(=O)NC1=NN(C(=O)C1)Cc2ccccc2)S(=O)(=O)O