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

Systemtic Name: [3,6,8-tris(dimethylsulfamoyl)pyren-1-yl] dihydrogen phosphate Openeye Name: [3,6,8-tris(dimethylsulfamoyl)pyren-1-yl] dihydrogen phosphate CAS Name: [3,6,8-tris(dimethylsulfamoyl)-1-pyrenyl] dihydrogen phosphate IUPAC Name: [3,6,8-tris(dimethylsulfamoyl)pyren-1-yl] dihydrogen phosphate Traditional Name: [3,6,8-tris(dimethylsulfamoyl)pyren-1-yl] dihydrogen phosphate Formula: C22H26N3O10PS3 MolecularWeight: 619.624701

Click to see the large picture

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

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

InChI

InChI=1S/C22H26N3O10PS3/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/h7-12H,1-6H3,(H2,26,27,28)