70007884 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 16 11 8 8 8 8 8 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 2 1 5 -1 1 1 1 1 2 3 4 4 8 8 8 9 9 10 11 12 12 13 13 14 14 15 16 16 17 3 5 6 7 5 10 11 24 9 10 12 11 13 14 15 16 18 17 19 15 20 21 17 22 23 1 1 2 2 7 1 1 1 1 1 2 1 2 2 2 1 1 1 1 1 1 1 2 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 2.866 2 3.732 3.732 2 3.366 2.366 4.5981 4.5981 3.732 3.732 5.492 5.492 2.866 2.866 6.3981 6.3981 5.4848 5.4848 2.3291 2.3291 6.9338 6.9338 3.1951 -1.655 -3.155 -1.155 2.845 -2.155 -2.521 -0.789 0.345 1.345 -0.155 1.845 -0.1897 1.8797 0.345 1.345 0.3242 1.3658 -0.8096 2.4996 0.035 1.655 0.0121 1.6779 3.155 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 10 11 12 13 14 16 9 10 12 11 13 14 15 16 17 15 17 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 339 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 0000037180703820400000000000000000000000000000000000306000000000000000C15000001A00000800000C048098003006C000020080022042003002000020200008880006088808262282111280700024C011089807C0C0B00E81000100001800000200020000300000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;(4-hydroxy-1-naphthyl) sulfate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;(4-hydroxy-1-naphthalenyl) sulfate IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;(4-hydroxynaphthalen-1-yl) sulfate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;(4-hydroxynaphthalen-1-yl) sulfate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;(4-oxidanylnaphthalen-1-yl) sulfate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;(4-hydroxy-1-naphthyl) sulfate InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C10H8O5S.Na/c11-9-5-6-10(15-16(12,13)14)8-4-2-1-3-7(8)9;/h1-6,11H,(H,12,13,14);/q;+1/p-1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 QJSDERGYLJJAMD-UHFFFAOYSA-M Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 261.99118878 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C10H7NaO5S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 262.22 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C2C(=C1)C(=CC=C2OS(=O)(=O)[O-])O.[Na+] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C2C(=C1)C(=CC=C2OS(=O)(=O)[O-])O.[Na+] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 95 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 261.99118878 17 0 0 0 0 0 0 0 2 -1