62648 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 16 16 8 8 8 8 8 8 8 8 7 7 1 1 1 1 1 1 1 1 5 -1 6 -1 11 1 12 1 1 1 1 1 2 2 2 2 3 11 11 11 11 12 12 12 12 3 5 7 8 4 6 9 10 4 13 14 15 16 17 18 19 20 1 1 2 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 3.9399 6.538 4.8059 5.672 3.0739 7.404 3.4399 4.4399 7.038 6.038 0.5369 5.2389 1.0739 0 0.2269 0.8469 5.7759 4.702 4.9289 5.5489 0.866 1.366 1.366 0.866 0.366 1.866 1.732 0 0.5 2.232 2.653 4.769 2.963 2.343 3.1899 2.116 5.079 4.459 5.3059 4.232 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 206 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 8 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0033C006000000000000000000000000000000000000000000000000000000000000000001004000000000000000000000000000000000000300000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 diammonium;sulfonatooxy sulfate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 diammonium;sulfonatooxy sulfate IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 diazanium;sulfonatooxy sulfate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 diazanium;sulfonatooxy sulfate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 diazanium;sulfonatooxy sulfate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 diammonium;sulfato sulfate InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/2H3N.H2O8S2/c;;1-9(2,3)7-8-10(4,5)6/h2*1H3;(H,1,2,3)(H,4,5,6) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 ROOXNKNUYICQNP-UHFFFAOYSA-N Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 227.97220756 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 H8N2O8S2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 228.21 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [NH4+].[NH4+].[O-]S(=O)(=O)OOS(=O)(=O)[O-] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [NH4+].[NH4+].[O-]S(=O)(=O)OOS(=O)(=O)[O-] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 152 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 227.97220756 12 0 0 0 0 0 0 0 3 -1