3-[(2,5-dimethylpyrazol-3-yl)methylsulfonyl]propanoate

Systemtic Name: 3-[(2,5-dimethylpyrazol-3-yl)methylsulfonyl]propanoate Openeye Name: 3-[(2,5-dimethylpyrazol-3-yl)methylsulfonyl]propanoate CAS Name: 3-[(2,5-dimethyl-3-pyrazolyl)methylsulfonyl]propanoate IUPAC Name: 3-[(2,5-dimethylpyrazol-3-yl)methylsulfonyl]propanoate Traditional Name: 3-[(2,5-dimethylpyrazol-3-yl)methylsulfonyl]propionate Formula: C9H13N2O4S- MolecularWeight: 245.27552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)CS(=O)(=O)CCC(=O)[O-])C

Isomeric SMILES

CC1=NN(C(=C1)CS(=O)(=O)CCC(=O)[O-])C

InChI

InChI=1S/C9H14N2O4S/c1-7-5-8(11(2)10-7)6-16(14,15)4-3-9(12)13/h5H,3-4,6H2,1-2H3,(H,12,13)/p-1