2723787 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 11 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26 -1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 7 7 8 8 9 9 10 10 11 11 12 12 13 13 14 14 15 15 16 16 17 17 18 18 19 19 20 20 21 21 22 23 24 25 26 6 10 26 7 11 26 8 12 26 9 13 26 14 27 15 28 16 29 17 30 18 31 19 32 20 33 21 34 22 35 23 36 24 37 25 38 22 39 23 40 24 41 25 42 43 44 45 46 7 2 1 1 2 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 2 1 2 1 2 1 2 1 2 1 2 1 2 1 1 1 1 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 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 4.1229 5.2529 5.0154 3.9406 5.9103 6.1189 5.929 3.665 6.4402 4.3869 4.2064 3.2459 6.3797 6.1189 6.0335 2.6947 7.4396 4.3869 4.3109 2.2756 7.3791 5.2529 5.2245 2 7.9091 4.9109 6.6559 6.4306 4.0956 6.1491 3.85 3.64 3.4168 6.0512 6.6559 6.5999 2.5238 7.7681 3.85 3.8093 1.845 7.6702 5.2529 5.2893 1.3984 8.5287 -0.6376 -0.9616 0.9726 0.22 0.013 -1.4616 1.3793 1.1812 -0.8351 -1.4616 1.5604 -0.4994 0.8959 -2.4616 2.3738 1.4232 -0.8002 -2.4616 2.5549 -0.2574 0.9308 -2.9616 2.9616 0.7038 0.0828 -0.0219 -1.1516 1.0149 1.6272 -1.3825 -1.1516 1.3082 -1.0953 1.4217 -2.7716 2.626 2.0191 -1.326 -2.7716 2.9193 -0.7034 1.4782 -3.5816 3.5782 0.8538 0.1044 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 3 3 4 4 5 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 6 10 7 11 8 12 9 13 14 15 16 17 18 19 20 21 22 23 24 25 22 23 24 25 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 308 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 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 00000371E27800200000000000000000000000000000000000003060C18000000000000154002018000000000008008010003000800000008000204200000200002000000888000000880820228011108020002080000888070000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sodium;tetraphenylboranuide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sodium;tetraphenylboranuide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sodium;tetraphenylboranuide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sodium;tetraphenylboranuide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sodium;tetraphenylboranuide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sodium;tetraphenylboranuide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C24H20B.Na/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-20H;/q-1;+1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 HFSRCEJMTLMDLI-UHFFFAOYSA-N Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 342.1555751 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C24H20BNa 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 [B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Na+] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Na+] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 342.1555751 26 0 0 0 0 0 0 0 2 -1