24850 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 16 16 16 13 13 8 8 8 8 8 8 8 8 8 8 8 8 4 3 5 3 6 -1 7 -1 8 -1 9 -1 10 -1 11 -1 1 1 1 1 2 2 2 2 3 3 3 3 6 7 12 13 8 9 14 15 10 11 16 17 1 1 2 2 1 1 2 2 1 1 2 2 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 3 5.673 8.3461 7.3461 4 3 4 6.639 4.7071 7.3461 8.3461 2 3 5.4142 5.9318 9.3461 8.3461 -1.4483 -0 1.4483 0.4483 -0.4483 -0.4483 -1.4483 -0.2588 0.2588 1.4483 0.4483 -1.4483 -2.4483 -0.9659 0.9659 1.4483 2.4483 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 62.2 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 12 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0000037100003C006000100000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000300000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dialuminum;trisulfate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dialuminum;trisulfate IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dialuminum;trisulfate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dialuminum;trisulfate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dialuminum;trisulfate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dialuminum;trisulfate InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/2Al.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 DIZPMCHEQGEION-UHFFFAOYSA-H Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 341.818266 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 Al2O12S3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 342.2 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[Al+3] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[Al+3] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 266 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 341.818266 17 0 0 0 0 0 0 0 5 -1