4-[[2,5,6-tris(chloranyl)pyrimidin-4-yl]amino]benzenesulfonic acid

Systemtic Name: 4-[[2,5,6-tris(chloranyl)pyrimidin-4-yl]amino]benzenesulfonic acid Openeye Name: 4-[(2,5,6-trichloropyrimidin-4-yl)amino]benzenesulfonic acid CAS Name: 4-[(2,5,6-trichloro-4-pyrimidinyl)amino]benzenesulfonic acid IUPAC Name: 4-[(2,5,6-trichloropyrimidin-4-yl)amino]benzenesulfonic acid Traditional Name: 4-[(2,5,6-trichloropyrimidin-4-yl)amino]besylic acid Formula: C10H6Cl3N3O3S MolecularWeight: 354.59694

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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

Isomeric SMILES

C1=CC(=CC=C1NC2=C(C(=NC(=N2)Cl)Cl)Cl)S(=O)(=O)O

InChI

InChI=1S/C10H6Cl3N3O3S/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)