dipotassium 4-[[4-[(4-sulfonatophenyl)amino]pyrimidin-2-yl]amino]benzoate

Systemtic Name: dipotassium 4-[[4-[(4-sulfonatophenyl)amino]pyrimidin-2-yl]amino]benzoate Openeye Name: dipotassium 4-[[4-(4-sulfonatoanilino)pyrimidin-2-yl]amino]benzoate CAS Name: dipotassium 4-[[4-(4-sulfonatoanilino)-2-pyrimidinyl]amino]benzoate IUPAC Name: dipotassium 4-[[4-(4-sulfonatoanilino)pyrimidin-2-yl]amino]benzoate Traditional Name: dipotassium 4-[[4-(4-sulfonatoanilino)pyrimidin-2-yl]amino]benzoate Formula: C17H12K2N4O5S MolecularWeight: 462.56258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])NC2=NC=CC(=N2)NC3=CC=C(C=C3)S(=O)(=O)[O-].[K+].[K+]

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])NC2=NC=CC(=N2)NC3=CC=C(C=C3)S(=O)(=O)[O-].[K+].[K+]

InChI

InChI=1S/C17H14N4O5S.2K/c22-16(23)11-1-3-13(4-2-11)20-17-18-10-9-15(21-17)19-12-5-7-14(8-6-12)27(24,25)26;;/h1-10H,(H,22,23)(H,24,25,26)(H2,18,19,20,21);;/q;2*+1/p-2