350050 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 8 8 8 8 8 8 8 8 8 8 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 2 3 3 4 4 5 5 6 6 7 8 9 10 11 11 11 12 12 13 13 13 14 14 15 16 17 21 20 22 19 23 18 24 17 20 19 18 12 16 18 15 20 14 16 19 15 17 2 2 1 1 1 1 1 1 1 1 2 2 2 2 2 1 1 1 1 2 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 6.8671 3.403 6.001 7.7331 2.5369 4.269 4.269 6.8671 3.403 6.001 5.135 6.001 4.269 5.135 6.001 4.269 5.135 5.135 3.403 6.8671 6.001 8.27 2 4.269 1 -1 2.5 -0.5 0.5 -2.5 2.5 -2 2 -2.5 -1 -0.5 0.5 1 0.5 -0.5 2 -2 1 -1 3.12 -0.81 0.81 -3.12 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 550 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 10 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0000037180703C00000000000000000000000000000000000000200000000000000000000000000A00000800000C04008000000800000200880280D0080000000020000000080100004800041608000000500004A0000811028826000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,6-dioxocyclohexa-1,4-diene-1,2,4,5-tetracarboxylic acid IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,6-dioxocyclohexa-1,4-diene-1,2,4,5-tetracarboxylic acid IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,6-dioxocyclohexa-1,4-diene-1,2,4,5-tetracarboxylic acid IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,6-dioxocyclohexa-1,4-diene-1,2,4,5-tetracarboxylic acid IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,6-bis(oxidanylidene)cyclohexa-1,4-diene-1,2,4,5-tetracarboxylic acid IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,6-diketocyclohexa-1,4-diene-1,2,4,5-tetracarboxylic acid InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C10H4O10/c11-5-1(7(13)14)2(8(15)16)6(12)4(10(19)20)3(5)9(17)18/h(H,13,14)(H,15,16)(H,17,18)(H,19,20) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 DMCTUEIMZPODLV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 0.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 283.98044632 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C10H4O10 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 284.13 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1(=C(C(=O)C(=C(C1=O)C(=O)O)C(=O)O)C(=O)O)C(=O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1(=C(C(=O)C(=C(C1=O)C(=O)O)C(=O)O)C(=O)O)C(=O)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 183 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 283.98044632 20 0 0 0 0 0 0 0 1 -1