disodium 4-[(2E)-2-[3-carboxy-5-oxidanylidene-1-(4-sulfonatophenyl)pyrazol-4-ylidene]hydrazinyl]benzenesulfonate

Systemtic Name: disodium 4-[(2E)-2-[3-carboxy-5-oxidanylidene-1-(4-sulfonatophenyl)pyrazol-4-ylidene]hydrazinyl]benzenesulfonate Openeye Name: disodium 4-[(2E)-2-[3-carboxy-5-oxo-1-(4-sulfonatophenyl)pyrazol-4-ylidene]hydrazino]benzenesulfonate CAS Name: disodium 4-[(2E)-2-[3-carboxy-5-oxo-1-(4-sulfonatophenyl)-4-pyrazolylidene]hydrazinyl]benzenesulfonate IUPAC Name: disodium 4-[(2E)-2-[3-carboxy-5-oxo-1-(4-sulfonatophenyl)pyrazol-4-ylidene]hydrazinyl]benzenesulfonate Traditional Name: disodium 4-[(N'E)-N'-[3-carboxy-5-keto-1-(4-sulfonatophenyl)-2-pyrazolin-4-ylidene]hydrazino]besylate Formula: C16H10N4Na2O9S2 MolecularWeight: 512.38154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NN=C2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C(=O)O)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1N/N=C/2\C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C(=O)O)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C16H12N4O9S2.2Na/c21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29;;/h1-8,17H,(H,22,23)(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2/b18-13+;;