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31.4449 12.3923 25.3827 5.4641 32.3109 13.2583 24.5167 4.5981 33.1769 14.1244 23.6506 3.732 34.0429 14.9904 22.7846 2.866 34.909 15.8564 21.9186 2 35.775 16.7224 21.0526 18.4545 19.3205 9.3267 8.5297 28.4483 29.2453 28.3793 27.5822 9.3957 10.1928 7.6636 8.4607 30.1113 29.3143 11.0588 10.2617 26.7162 27.5133 7.5947 6.7976 30.1803 30.9774 11.1278 11.9248 26.6472 25.8502 5.9316 6.7287 31.8434 31.0463 12.7908 11.9938 24.9842 25.7812 5.8626 5.0656 31.9124 32.7094 12.8598 13.6569 24.9152 24.1181 4.1996 4.9966 33.5754 32.7784 23.2521 14.5229 24.0492 13.7258 33.6444 34.4415 4.1306 3.3335 23.1831 14.5919 15.3889 22.3861 2.4675 3.2646 35.3075 34.5104 16.2549 21.5201 22.3171 15.4579 2.31 1.4631 1.69 35.465 36.3119 36.085 19.719 18.922 18.056 18.853 0.25 -0.25 -1.25 1.25 0.25 -0.25 -0.25 0.25 -0.25 0.25 0.25 -0.25 0.25 -0.25 -0.25 0.25 -0.25 0.25 0.25 -0.25 0.25 -0.25 -0.25 0.25 -0.25 0.25 0.25 -0.25 0.25 -0.25 -0.25 0.25 -0.25 0.25 0.25 -0.25 0.25 -0.25 -0.25 0.25 -0.25 0.25 0.7249 0.7249 -0.7249 -0.7249 0.7249 0.7249 -0.7249 -0.7249 -0.7249 -0.7249 0.7249 0.7249 0.7249 0.7249 -0.7249 -0.7249 0.7249 0.7249 -0.7249 -0.7249 -0.7249 -0.7249 0.7249 0.7249 -0.7249 -0.7249 0.7249 0.7249 0.7249 0.7249 -0.7249 -0.7249 0.7249 0.7249 -0.7249 -0.7249 -0.7249 -0.7249 0.7249 0.7249 -0.7249 -0.7249 0.7249 0.7249 -0.7249 0.7249 -0.7249 0.7249 -0.7249 -0.7249 0.7249 0.7249 0.7249 -0.7249 -0.7249 0.7249 -0.7249 -0.7249 0.7249 0.7249 0.7249 -0.7249 -0.7249 0.7249 0.7869 0.56 -0.2869 -0.7869 -0.56 0.2869 0.7249 0.7249 -0.7249 -0.7249 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 499 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 0 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 37 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371F07C3800000000000000000000000000000000000000000000000000000000000000001A00000000000800A0800202080000040008000090080000000000000000000100000001001200000002000004000002000188C8A08000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 2-octadecanoyloxyethyl octadecanoate IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 octadecanoic acid 2-(1-oxooctadecoxy)ethyl ester IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 2-octadecanoyloxyethyl octadecanoate IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 2-octadecanoyloxyethyl octadecanoate IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 stearic acid 2-stearoyloxyethyl ester InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C38H74O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(39)41-35-36-42-38(40)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 FPVVYTCTZKCSOJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 16.8 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 594.558711 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C38H74O4 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 594.99176 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CCCCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCCCCCC SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CCCCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCCCCCC Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 52.6 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 594.558711 42 0 0 0 0 0 0 0 1 1