3423265 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 16 11 8 8 8 8 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 2 1 4 -1 1 1 1 1 2 3 7 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 18 18 18 3 4 5 6 4 17 8 9 19 20 10 21 22 11 23 24 12 25 26 13 27 28 14 29 30 15 31 32 16 33 34 17 35 36 18 37 38 39 40 41 42 43 1 1 2 2 7 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 1 1 1 1 1 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 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 3.732 2 4.5981 2.866 3.232 4.232 9.7942 10.6603 8.9282 11.5263 8.0622 12.3923 7.1962 13.2583 6.3301 14.1244 5.4641 14.9904 10.1928 9.3957 10.2617 11.0588 8.5297 9.3267 11.9248 11.1278 8.4607 7.6636 11.9938 12.7908 6.7976 7.5947 13.6569 12.8598 6.7287 5.9316 13.7258 14.5229 5.0656 5.8626 15.3004 15.5273 14.6804 0 0 0.5 -0.5 0.866 -0.866 0.5 0 0 0.5 0.5 0 0 0.5 0.5 0 0 0.5 0.9749 0.9749 -0.4749 -0.4749 -0.4749 -0.4749 0.9749 0.9749 0.9749 0.9749 -0.4749 -0.4749 -0.4749 -0.4749 0.9749 0.9749 0.9749 0.9749 -0.4749 -0.4749 -0.4749 -0.4749 -0.0369 0.81 1.0369 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.408 Cactvs xemistry.com 2012.11.26 249 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.408 Cactvs xemistry.com 2012.11.26 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.408 Cactvs xemistry.com 2012.11.26 0 Count Rotatable Bond 5 E_NROTBONDS 3.408 Cactvs xemistry.com 2012.11.26 12 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.408 Cactvs xemistry.com 2012.11.26 00000371E0703820400000000000000000000000000000000000000000000000000000000000001A00000000000800A0800202000000000000000000003000000000000000000000000000000200000000000004000000000180C0A00000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.2.0 LexiChem openeye.com 2012.11.26 sodium;dodecyl sulfate IUPAC Name CAS-like Style 1 2.2.0 LexiChem openeye.com 2012.11.26 sodium;dodecyl sulfate IUPAC Name Preferred 1 2.2.0 LexiChem openeye.com 2012.11.26 sodium;dodecyl sulfate IUPAC Name Systematic 1 2.2.0 LexiChem openeye.com 2012.11.26 sodium;dodecyl sulfate IUPAC Name Traditional 1 2.2.0 LexiChem openeye.com 2012.11.26 sodium;lauryl sulfate InChI Standard 1 1.0.4 InChI iupac.org 2012.11.26 InChI=1S/C12H26O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.11.26 DBMJMQXJHONAFJ-UHFFFAOYSA-M Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 288.137125 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 C12H25NaO4S Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 288.379269 SMILES Canonical 1 1.9.0 OEChem openeye.com 2012.11.26 CCCCCCCCCCCCOS(=O)(=O)[O-].[Na+] SMILES Isomeric 1 1.9.0 OEChem openeye.com 2012.11.26 CCCCCCCCCCCCOS(=O)(=O)[O-].[Na+] Topological Polar Surface Area 7 E_TPSA 3.408 Cactvs xemistry.com 2012.11.26 74.8 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 288.137125 18 0 0 0 0 0 0 0 2 1