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

Systemtic Name: 2-(5-oxidanylidene-3-propanoyl-4H-pyrazol-1-yl)benzene-1,4-disulfonic acid Openeye Name: 2-(5-oxo-3-propanoyl-4H-pyrazol-1-yl)benzene-1,4-disulfonic acid CAS Name: 2-[5-oxo-3-(1-oxopropyl)-4H-pyrazol-1-yl]benzene-1,4-disulfonic acid IUPAC Name: 2-(5-oxo-3-propanoyl-4H-pyrazol-1-yl)benzene-1,4-disulfonic acid Traditional Name: 2-(5-keto-3-propionyl-2-pyrazolin-1-yl)benzene-1,4-disulfonic acid Formula: C12H12N2O8S2 MolecularWeight: 376.36228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=NN(C(=O)C1)C2=C(C=CC(=C2)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCC(=O)C1=NN(C(=O)C1)C2=C(C=CC(=C2)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C12H12N2O8S2/c1-2-10(15)8-6-12(16)14(13-8)9-5-7(23(17,18)19)3-4-11(9)24(20,21)22/h3-5H,2,6H2,1H3,(H,17,18,19)(H,20,21,22)