sodium 4-[[2,5,6-tris(chloranyl)pyrimidin-4-yl]amino]benzenesulfonate

Systemtic Name: sodium 4-[[2,5,6-tris(chloranyl)pyrimidin-4-yl]amino]benzenesulfonate Openeye Name: sodium 4-[(2,5,6-trichloropyrimidin-4-yl)amino]benzenesulfonate CAS Name: sodium 4-[(2,5,6-trichloro-4-pyrimidinyl)amino]benzenesulfonate IUPAC Name: sodium 4-[(2,5,6-trichloropyrimidin-4-yl)amino]benzenesulfonate Traditional Name: sodium 4-[(2,5,6-trichloropyrimidin-4-yl)amino]besylate Formula: C10H5Cl3N3NaO3S MolecularWeight: 376.57877

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=C(C(=NC(=N2)Cl)Cl)Cl)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=CC=C1NC2=C(C(=NC(=N2)Cl)Cl)Cl)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C10H6Cl3N3O3S.Na/c11-7-8(12)15-10(13)16-9(7)14-5-1-3-6(4-2-5)20(17,18)19;/h1-4H,(H,14,15,16)(H,17,18,19);/q;+1/p-1