1-(3-ethoxy-5-oxidanylidene-pyrazol-4-yl)propane-1-sulfonic acid

Systemtic Name: 1-(3-ethoxy-5-oxidanylidene-pyrazol-4-yl)propane-1-sulfonic acid Openeye Name: 1-(3-ethoxy-5-oxo-pyrazol-4-yl)propane-1-sulfonic acid CAS Name: 1-(3-ethoxy-5-oxo-4-pyrazolyl)-1-propanesulfonic acid IUPAC Name: 1-(3-ethoxy-5-oxopyrazol-4-yl)propane-1-sulfonic acid Traditional Name: 1-(3-ethoxy-5-keto-pyrazol-4-yl)propane-1-sulfonic acid Formula: C8H12N2O5S MolecularWeight: 248.25628

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(N=NC1=O)OCC)S(=O)(=O)O

Isomeric SMILES

CCC(C1=C(N=NC1=O)OCC)S(=O)(=O)O

InChI

InChI=1S/C8H12N2O5S/c1-3-5(16(12,13)14)6-7(11)9-10-8(6)15-4-2/h5H,3-4H2,1-2H3,(H,12,13,14)