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

Systemtic Name: 3-(5-ethoxycarbonyl-3-oxidanylidene-1H-pyrazol-2-yl)propane-1-sulfonic acid Openeye Name: 3-(5-ethoxycarbonyl-3-oxo-1H-pyrazol-2-yl)propane-1-sulfonic acid CAS Name: 3-(5-ethoxycarbonyl-3-oxo-1H-pyrazol-2-yl)-1-propanesulfonic acid IUPAC Name: 3-(5-ethoxycarbonyl-3-oxo-1H-pyrazol-2-yl)propane-1-sulfonic acid Traditional Name: 3-(3-carbethoxy-5-keto-3-pyrazolin-1-yl)propane-1-sulfonic acid Formula: C9H14N2O6S MolecularWeight: 278.28226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=O)N(N1)CCCS(=O)(=O)O

Isomeric SMILES

CCOC(=O)C1=CC(=O)N(N1)CCCS(=O)(=O)O

InChI

InChI=1S/C9H14N2O6S/c1-2-17-9(13)7-6-8(12)11(10-7)4-3-5-18(14,15)16/h6,10H,2-5H2,1H3,(H,14,15,16)