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 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 230 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 11 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E0723800400000000000000000000000000000000000000000000000000000000000001A00100000000800A0800202000000000000000000003000000000000000000000000000000200000000000004000000000180C0A00000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 ammonium;dodecyl sulfate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 ammonium;dodecyl sulfate IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 azanium;dodecyl sulfate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 azanium;dodecyl sulfate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 azanium;dodecyl sulfate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 ammonium;lauryl sulfate InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 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 1.0.6 InChI iupac.org 2021.10.14 BTBJBAZGXNKLQC-UHFFFAOYSA-N Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 283.18172958 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C12H29NO4S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 283.43 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCCCCCCCCCOS(=O)(=O)[O-].[NH4+] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCCCCCCCCCOS(=O)(=O)[O-].[NH4+] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 75.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 283.18172958 18 0 0 0 0 0 0 0 2 -1