16700 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 16 8 8 8 8 7 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 1 3 -1 6 1 1 1 1 1 2 6 6 6 6 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 2 3 4 5 17 44 45 46 47 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 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 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 44 45 46 47 0.866 1.732 0 0.366 1.366 6.3306 6.9282 7.7942 6.0622 8.6602 5.1962 9.5263 4.3301 10.3923 3.4641 11.2583 2.5981 12.1244 7.3267 6.5297 7.3957 8.1928 5.6636 6.4607 9.0588 8.2617 5.5947 4.7976 9.1278 9.9248 3.9316 4.7287 10.7908 9.9938 3.8626 3.0656 10.8598 11.6569 2.1996 2.9966 12.4344 12.6613 11.8144 6.8676 5.7937 6.0206 6.6406 0.866 1.366 0.366 1.732 0 4.4399 1.366 0.866 0.866 1.366 1.366 0.866 0.866 1.366 1.366 0.866 0.866 1.366 1.841 1.841 0.3911 0.3911 0.3911 0.3911 1.841 1.841 1.841 1.841 0.3911 0.3911 0.3911 0.3911 1.841 1.841 1.841 1.841 0.3911 0.3911 0.3911 0.3911 0.8291 1.676 1.903 4.7499 4.1299 4.9768 3.903 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.408 Cactvs xemistry.com 2012.11.26 230 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.408 Cactvs xemistry.com 2012.11.26 11 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.408 Cactvs xemistry.com 2012.11.26 00000371E0723800400000000000000000000000000000000000000000000000000000000000001A00100000000800A0800202000000000000000000003000000000000000000000000000000200000000000004000000000180C0A00000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.2.0 LexiChem openeye.com 2012.11.26 ammonium;dodecyl sulfate IUPAC Name CAS-like Style 1 2.2.0 LexiChem openeye.com 2012.11.26 ammonium;dodecyl sulfate IUPAC Name Preferred 1 2.2.0 LexiChem openeye.com 2012.11.26 azanium;dodecyl sulfate IUPAC Name Systematic 1 2.2.0 LexiChem openeye.com 2012.11.26 azanium;dodecyl sulfate IUPAC Name Traditional 1 2.2.0 LexiChem openeye.com 2012.11.26 ammonium;lauryl sulfate InChI Standard 1 1.0.4 InChI iupac.org 2012.11.26 InChI=1S/C12H26O4S.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);1H3 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.11.26 BTBJBAZGXNKLQC-UHFFFAOYSA-N Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 283.181729 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 C12H29NO4S Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 283.42796 SMILES Canonical 1 1.9.0 OEChem openeye.com 2012.11.26 CCCCCCCCCCCCOS(=O)(=O)[O-].[NH4+] SMILES Isomeric 1 1.9.0 OEChem openeye.com 2012.11.26 CCCCCCCCCCCCOS(=O)(=O)[O-].[NH4+] Topological Polar Surface Area 7 E_TPSA 3.408 Cactvs xemistry.com 2012.11.26 75.8 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 283.181729 18 0 0 0 0 0 0 0 2 1