sodium 3-(3,5-dimethylpyrazol-1-yl)propane-1-sulfonate

Systemtic Name: sodium 3-(3,5-dimethylpyrazol-1-yl)propane-1-sulfonate Openeye Name: sodium 3-(3,5-dimethylpyrazol-1-yl)propane-1-sulfonate CAS Name: sodium 3-(3,5-dimethyl-1-pyrazolyl)-1-propanesulfonate IUPAC Name: sodium 3-(3,5-dimethylpyrazol-1-yl)propane-1-sulfonate Traditional Name: sodium 3-(3,5-dimethylpyrazol-1-yl)propane-1-sulfonate Formula: C8H13N2NaO3S MolecularWeight: 240.25519

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCS(=O)(=O)[O-])C.[Na+]

Isomeric SMILES

CC1=CC(=NN1CCCS(=O)(=O)[O-])C.[Na+]

InChI

InChI=1S/C8H14N2O3S.Na/c1-7-6-8(2)10(9-7)4-3-5-14(11,12)13;/h6H,3-5H2,1-2H3,(H,11,12,13);/q;+1/p-1