4-(5-ethoxycarbonyl-3-oxidanylidene-1H-pyrazol-2-yl)benzene-1,3-disulfonic acid

Systemtic Name: 4-(5-ethoxycarbonyl-3-oxidanylidene-1H-pyrazol-2-yl)benzene-1,3-disulfonic acid Openeye Name: 4-(5-ethoxycarbonyl-3-oxo-1H-pyrazol-2-yl)benzene-1,3-disulfonic acid CAS Name: 4-(5-ethoxycarbonyl-3-oxo-1H-pyrazol-2-yl)benzene-1,3-disulfonic acid IUPAC Name: 4-(5-ethoxycarbonyl-3-oxo-1H-pyrazol-2-yl)benzene-1,3-disulfonic acid Traditional Name: 4-(3-carbethoxy-5-keto-3-pyrazolin-1-yl)benzene-1,3-disulfonic acid Formula: C12H12N2O9S2 MolecularWeight: 392.36168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=O)N(N1)C2=C(C=C(C=C2)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCOC(=O)C1=CC(=O)N(N1)C2=C(C=C(C=C2)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C12H12N2O9S2/c1-2-23-12(16)8-6-11(15)14(13-8)9-4-3-7(24(17,18)19)5-10(9)25(20,21)22/h3-6,13H,2H2,1H3,(H,17,18,19)(H,20,21,22)