pyridine; [3,6,8-tris(dimethylsulfamoyl)pyren-1-yl] dihydrogen phosphate

Systemtic Name: pyridine; [3,6,8-tris(dimethylsulfamoyl)pyren-1-yl] dihydrogen phosphate Openeye Name: pyridine; [3,6,8-tris(dimethylsulfamoyl)pyren-1-yl] dihydrogen phosphate CAS Name: pyridine; [3,6,8-tris(dimethylsulfamoyl)-1-pyrenyl] dihydrogen phosphate IUPAC Name: pyridine; [3,6,8-tris(dimethylsulfamoyl)pyren-1-yl] dihydrogen phosphate Traditional Name: pyridine; [3,6,8-tris(dimethylsulfamoyl)pyren-1-yl] dihydrogen phosphate Formula: C27H31N4O10PS3 MolecularWeight: 698.724601

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C2C=CC3=C(C=C(C4=C3C2=C1C=C4)OP(=O)(O)O)S(=O)(=O)N(C)C)S(=O)(=O)N(C)C.C1=CC=NC=C1

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C2C=CC3=C(C=C(C4=C3C2=C1C=C4)OP(=O)(O)O)S(=O)(=O)N(C)C)S(=O)(=O)N(C)C.C1=CC=NC=C1

InChI

InChI=1S/C22H26N3O10PS3.C5H5N/c1-23(2)37(29,30)18-11-17(35-36(26,27)28)13-7-8-15-19(38(31,32)24(3)4)12-20(39(33,34)25(5)6)16-10-9-14(18)21(13)22(15)16;1-2-4-6-5-3-1/h7-12H,1-6H3,(H2,26,27,28);1-5H