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[2-(4-nitrophenyl)-5-propan-2-yl-pyrazol-3-yl] propane-2-sulfonate

[2-(4-nitrophenyl)-5-propan-2-yl-pyrazol-3-yl] propane-2-sulfonate

Systemtic Name:[2-(4-nitrophenyl)-5-propan-2-yl-pyrazol-3-yl] propane-2-sulfonate
Openeye Name:[5-isopropyl-2-(4-nitrophenyl)pyrazol-3-yl] propane-2-sulfonate
CAS Name:2-propanesulfonic acid
IUPAC Name:[2-(4-nitrophenyl)-5-propan-2-ylpyrazol-3-yl] propane-2-sulfonate
Traditional Name:propane-2-sulfonic acid [5-isopropyl-2-(4-nitrophenyl)pyrazol-3-yl] ester
Formula: C15H19N3O5S
MolecularWeight: 353.39346
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN(C(=C1)OS(=O)(=O)C(C)C)C2=CC=C(C=C2)[N+](=O)[O-]


Isomeric SMILES

CC(C)C1=NN(C(=C1)OS(=O)(=O)C(C)C)C2=CC=C(C=C2)[N+](=O)[O-]


InChI

InChI=1S/C15H19N3O5S/c1-10(2)14-9-15(23-24(21,22)11(3)4)17(16-14)12-5-7-13(8-6-12)18(19)20/h5-11H,1-4H3


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