3-(5-ethoxy-3-oxidanylidene-1H-pyrazol-2-yl)propane-1-sulfonic acid

Systemtic Name: 3-(5-ethoxy-3-oxidanylidene-1H-pyrazol-2-yl)propane-1-sulfonic acid Openeye Name: 3-(5-ethoxy-3-oxo-1H-pyrazol-2-yl)propane-1-sulfonic acid CAS Name: 3-(5-ethoxy-3-oxo-1H-pyrazol-2-yl)-1-propanesulfonic acid IUPAC Name: 3-(5-ethoxy-3-oxo-1H-pyrazol-2-yl)propane-1-sulfonic acid Traditional Name: 3-(3-ethoxy-5-keto-3-pyrazolin-1-yl)propane-1-sulfonic acid Formula: C8H14N2O5S MolecularWeight: 250.27216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=O)N(N1)CCCS(=O)(=O)O

Isomeric SMILES

CCOC1=CC(=O)N(N1)CCCS(=O)(=O)O

InChI

InChI=1S/C8H14N2O5S/c1-2-15-7-6-8(11)10(9-7)4-3-5-16(12,13)14/h6,9H,2-5H2,1H3,(H,12,13,14)