sodium 4-(5-ethoxycarbonyl-3-oxidanylidene-1H-pyrazol-2-yl)benzenesulfonic acid

Systemtic Name: sodium 4-(5-ethoxycarbonyl-3-oxidanylidene-1H-pyrazol-2-yl)benzenesulfonic acid Openeye Name: sodium 4-(5-ethoxycarbonyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid CAS Name: sodium 4-(5-ethoxycarbonyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid IUPAC Name: sodium 4-(5-ethoxycarbonyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid Traditional Name: sodium 4-(3-carbethoxy-5-keto-3-pyrazolin-1-yl)besylic acid Formula: C12H12N2NaO6S+ MolecularWeight: 335.28825

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)O.[Na+]

Isomeric SMILES

CCOC(=O)C1=CC(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C12H12N2O6S.Na/c1-2-20-12(16)10-7-11(15)14(13-10)8-3-5-9(6-4-8)21(17,18)19;/h3-7,13H,2H2,1H3,(H,17,18,19);/q;+1