68454 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 19 8 8 8 8 8 8 8 7 7 7 6 6 6 6 6 6 1 1 1 1 2 -1 3 -1 4 -1 7 -1 9 1 10 1 11 1 2 3 4 5 6 7 8 9 10 11 12 12 13 13 14 14 16 17 15 9 10 9 10 11 11 12 13 14 15 16 15 17 16 17 18 19 1 1 1 2 2 1 2 1 1 1 2 1 1 2 2 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 5.4641 4.5981 7.1962 2 6.3301 2.866 3.732 5.4641 6.3301 2.866 4.5981 5.4641 3.732 4.5981 4.5981 5.4641 3.732 6.001 3.1951 2.5 2 0.5 0.5 2 2 -2.5 -2.5 1 1 -2 0.5 0.5 -1 1 -0.5 -0.5 -0.81 -0.81 8 8 8 8 8 8 12 12 13 13 14 14 15 16 15 17 16 17 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 292 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 7 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 0000037100633800004000000000000000000000000000000000300000000000000000010000001E0004000000080C81900030C680104000810024424300820000202200208800056C8A0A262280D1D380300064C05108C807B040000000400000040010000080000008002000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 potassium;2,4,6-trinitrophenolate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 potassium;2,4,6-trinitrophenolate IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 potassium;2,4,6-trinitrophenolate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 potassium;2,4,6-trinitrophenolate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 potassium;2,4,6-trinitrophenolate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 potassium;picrate InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C6H3N3O7.K/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;/h1-2,10H;/q;+1/p-1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 RBGOCSKFMWMTRZ-UHFFFAOYSA-M Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 266.95298090 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C6H2KN3O7 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 267.19 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].[K+] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].[K+] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 161 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 266.95298090 17 0 0 0 0 0 0 0 2 -1