disodium 4-[(2-ethylsulfonyl-1,3-benzothiazol-6-yl)diazenyl]-1-(3-oxidanidyl-3-oxidanylidene-propyl)-5-oxidanylidene-4H-pyrazole-3-carboxylate

Systemtic Name: disodium 4-[(2-ethylsulfonyl-1,3-benzothiazol-6-yl)diazenyl]-1-(3-oxidanidyl-3-oxidanylidene-propyl)-5-oxidanylidene-4H-pyrazole-3-carboxylate Openeye Name: disodium 4-[(2-ethylsulfonyl-1,3-benzothiazol-6-yl)azo]-1-(3-oxido-3-oxo-propyl)-5-oxo-4H-pyrazole-3-carboxylate CAS Name: disodium 4-[(2-ethylsulfonyl-1,3-benzothiazol-6-yl)azo]-1-(3-oxido-3-oxopropyl)-5-oxo-4H-pyrazole-3-carboxylate IUPAC Name: disodium 4-[(2-ethylsulfonyl-1,3-benzothiazol-6-yl)diazenyl]-1-(3-oxido-3-oxopropyl)-5-oxo-4H-pyrazole-3-carboxylate Traditional Name: disodium 4-[(2-esyl-1,3-benzothiazol-6-yl)azo]-5-keto-1-(3-keto-3-oxido-propyl)-2-pyrazoline-3-carboxylate Formula: C16H13N5Na2O7S2 MolecularWeight: 497.41326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC2=C(S1)C=C(C=C2)N=NC3C(=NN(C3=O)CCC(=O)[O-])C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCS(=O)(=O)C1=NC2=C(S1)C=C(C=C2)N=NC3C(=NN(C3=O)CCC(=O)[O-])C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C16H15N5O7S2.2Na/c1-2-30(27,28)16-17-9-4-3-8(7-10(9)29-16)18-19-12-13(15(25)26)20-21(14(12)24)6-5-11(22)23;;/h3-4,7,12H,2,5-6H2,1H3,(H,22,23)(H,25,26);;/q;2*+1/p-2