disodium 3-oxidanylidene-2-(4-sulfonatophenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: disodium 3-oxidanylidene-2-(4-sulfonatophenyl)-1H-pyrazole-5-carboxylate Openeye Name: disodium 3-oxo-2-(4-sulfonatophenyl)-1H-pyrazole-5-carboxylate CAS Name: disodium 3-oxo-2-(4-sulfonatophenyl)-1H-pyrazole-5-carboxylate IUPAC Name: disodium 3-oxo-2-(4-sulfonatophenyl)-1H-pyrazole-5-carboxylate Traditional Name: disodium 5-keto-1-(4-sulfonatophenyl)-3-pyrazoline-3-carboxylate Formula: C10H6N2Na2O6S MolecularWeight: 328.20898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)C=C(N2)C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)C=C(N2)C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C10H8N2O6S.2Na/c13-9-5-8(10(14)15)11-12(9)6-1-3-7(4-2-6)19(16,17)18;;/h1-5,11H,(H,14,15)(H,16,17,18);;/q;2*+1/p-2