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

Synonyms3-Heptadecyl-4-methyl-1-(3-sulfo-4-phenoxyphenyl)-2-pyrazolin-5-one

Property

Molecular Formula: C33H48N2O5S
Molecular Weight584.816
Purity≥95%
Storage-20°C

Computed Descriptor

IUPAC Name5-(3-heptadecyl-4-methyl-5-oxo-4H-pyrazol-1-yl)-2-phenoxybenzenesulfonic acid
InChIInChI=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)
InChIKeySPJIEXHENBRIDM-UHFFFAOYSA-N
SMILESCCCCCCCCCCCCCCCCCC1=NN(C(=O)C1C)C2=CC(=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)O