10603 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 8 8 8 8 8 8 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 2 2 3 3 4 4 5 5 6 6 7 7 7 8 8 8 9 9 9 10 10 11 12 12 13 13 14 15 15 16 16 17 17 18 19 21 21 7 29 12 14 18 33 19 34 20 35 22 36 8 9 12 10 13 23 11 24 25 11 15 16 26 27 14 17 19 18 28 20 30 21 31 20 22 22 32 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 1 1 1 2 1 2 2 1 1 7 1 8 9 12 3 1 8 7 10 13 23 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 7.8003 6.0682 5.4812 4.3198 7.5123 2.5381 6.9343 6.0682 7.6713 6.2775 7.2662 6.9343 5.2022 5.2022 5.6567 7.7027 4.3083 6.0714 4.3083 7.1013 3.4022 3.4022 5.5671 8.2078 8.0367 7.5449 7.1463 5.0408 8.3372 8.32 4.3154 2.8665 5.7317 3.7865 8.1292 2 1.3865 2.3865 -3.1701 3.4211 -3.3818 2.4106 0.8865 0.3865 0.2194 -0.5853 -0.6884 1.8865 0.8865 1.8865 -1.4141 -1.6273 0.3518 -2.3629 2.4212 -2.4702 0.8657 1.9073 0.0214 -0.0914 0.7203 1.7788 2.4691 -1.3427 1.0765 -1.6845 -0.2681 0.5536 -3.7373 3.7373 -3.4437 2.1027 3 3 8 8 8 8 8 8 8 8 8 8 8 8 7 8 10 10 11 13 13 14 15 16 17 18 19 21 1 13 11 15 16 14 17 19 18 20 21 20 22 22 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 444 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 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 00000371C0783800000000000000000000000000000180000000346080000000000068914000001A00000800000D44A098023006800006008002204200000208002020000888000688880D272286311A827823A5C0150BB807C0E0FC0EA000010800184000400002100030800180000C000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 7,11b-dihydro-6H-indeno[2,1-c][1]benzopyran-3,4,6a,9,10-pentol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 7,11<I>b</I>-dihydro-6<I>H</I>-indeno[2,1-c]chromene-3,4,6<I>a</I>,9,10-pentol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C16H14O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,13,17-21H,5-6H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 WZUVPPKBWHMQCE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 302.07903816 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C16H14O6 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 302.28 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1C2=CC(=C(C=C2C3C1(COC4=C3C=CC(=C4O)O)O)O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1C2=CC(=C(C=C2C3C1(COC4=C3C=CC(=C4O)O)O)O)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 110 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 302.07903816 22 2 0 2 0 0 0 0 1 -1