3-Heptadecyl-4-methyl-1-(3-sulfo-4-phenoxyphenyl)-2-pyrazolin-5-one - CAS 105489-07-4
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Catalog Number: M011178
CAS Number: 105489-07-4
PubChem Substance ID:355110624
Molecular Formula: C33H48N2O5S
Molecular Weight:584.816
Purity: ≥95%
* For research use only. Not for human or veterinary use.
Synonym
Synonyms | 3-Heptadecyl-4-methyl-1-(3-sulfo-4-phenoxyphenyl)-2-pyrazolin-5-one |
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Property
Molecular Formula: | C33H48N2O5S |
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Molecular Weight | 584.816 |
Purity | ≥95% |
Storage | -20°C |
Computed Descriptor
IUPAC Name | 5-(3-heptadecyl-4-methyl-5-oxo-4H-pyrazol-1-yl)-2-phenoxybenzenesulfonic acid |
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InChI | InChI=1S/C33H48N2O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-30-27(2)33(36)35(34-30)28-24-25-31(32(26-28)41(37,38)39)40-29-21-18-17-19-22-29/h17-19,21-22,24-27H,3-16,20,23H2,1-2H3,(H,37,38,39) |
InChIKey | SPJIEXHENBRIDM-UHFFFAOYSA-N |
SMILES | CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1C)C2=CC(=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)O |