71152469 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 47 48 49 50 51 52 8 8 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 4 5 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 11 11 11 12 12 12 13 13 13 14 14 15 15 16 16 18 18 19 19 20 20 21 21 23 24 24 25 25 26 17 51 17 22 52 22 6 8 10 27 7 28 29 9 30 31 11 32 33 12 34 35 15 16 13 36 37 14 17 38 22 39 40 20 21 18 41 19 42 23 43 23 44 24 45 25 46 47 26 48 26 49 50 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 1 2 1 1 2 1 1 1 1 5 6 8 10 27 3 1 12 9 14 17 38 3 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 47 48 49 50 51 52 7.1962 8.0622 7.1962 5.4641 4.5981 4.5981 5.4641 5.4641 5.4641 3.732 5.4641 6.3301 6.3301 6.3301 2.866 3.732 7.1962 2 2.866 7.1962 5.4641 6.3301 2 7.1962 5.4641 6.3301 5.135 3.9875 4.386 6.0747 5.6762 5.6762 6.0747 4.8535 5.252 5.252 4.8535 6.8671 6.5422 6.9407 2.866 4.269 1.4631 2.866 7.7331 4.9272 1.4631 7.7331 4.9272 6.3301 7.7331 7.1962 -0.56 -2.06 4.44 4.44 0.94 -0.06 -0.56 1.44 -1.56 1.44 2.44 -2.06 2.94 -3.06 0.94 2.44 -1.56 1.44 2.94 -3.56 -3.56 3.94 2.44 -4.56 -4.56 -5.06 0.63 0.0477 -0.6426 -0.6677 0.0226 0.8574 1.5477 -1.4523 -2.1426 3.0226 2.3323 -2.37 2.3574 3.0477 0.32 2.75 1.13 3.56 -3.25 -3.25 2.75 -4.87 -4.87 -5.68 -0.25 5.06 3 8 8 3 8 8 8 8 8 8 8 8 8 8 5 10 10 12 14 14 15 16 18 19 20 21 24 25 6 15 16 9 20 21 18 19 23 23 24 25 26 26 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 422 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 11 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E0783800000000000000000000000000000000000000306000000000000000014000001A00000800000D00809800300880000200880220D2080002000020000008880100008808203280151080600024C00108880788C8F08E80000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,6-diphenyldecanedioic acid IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,6-diphenyldecanedioic acid IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,6-diphenyldecanedioic acid IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,6-diphenyldecanedioic acid IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,6-diphenyldecanedioic acid IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,6-diphenylsebacic acid InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C22H26O4/c23-21(24)16-8-14-18(17-9-3-1-4-10-17)13-7-15-20(22(25)26)19-11-5-2-6-12-19/h1-6,9-12,18,20H,7-8,13-16H2,(H,23,24)(H,25,26) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 CCTYQFQJRCRHCC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 354.18310931 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C22H26O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 354.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C=C1)C(CCCC(C2=CC=CC=C2)C(=O)O)CCCC(=O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C=C1)C(CCCC(C2=CC=CC=C2)C(=O)O)CCCC(=O)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 74.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 354.18310931 26 2 0 2 0 0 0 0 1 -1