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 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 249 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 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 12 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E0703820400000000000000000000000000000000000000000000000000000000000001A00000000000800A0800202000000000000000000003000000000000000000000000000000200000000000004000000000180C0A00000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sodium;dodecyl sulfate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sodium;dodecyl sulfate IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sodium;dodecyl sulfate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sodium;dodecyl sulfate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sodium;dodecyl sulfate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sodium;lauryl sulfate InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 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 1.0.6 InChI iupac.org 2021.10.14 DBMJMQXJHONAFJ-UHFFFAOYSA-M Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 288.13712473 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C12H25NaO4S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 288.38 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCCCCCCCCCOS(=O)(=O)[O-].[Na+] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCCCCCCCCCOS(=O)(=O)[O-].[Na+] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 74.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 288.13712473 18 0 0 0 0 0 0 0 2 -1