69019657 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 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 2 1 4 -1 5 -1 1 1 1 3 3 7 7 7 8 8 9 10 10 11 11 12 12 13 13 14 15 15 16 4 5 6 9 24 8 9 11 10 12 13 14 17 15 18 16 19 14 20 21 16 22 23 1 1 2 1 1 1 1 2 1 2 2 2 1 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 1.8694 3.6014 1.403 2.7354 1.0033 1.8694 2.269 2.269 1.403 1.403 3.1629 3.1629 0.5369 0.5369 4.069 4.069 1.403 3.1558 3.1558 0 0 4.6047 4.6047 0.866 1 1 3.8378 1.5 1.5 0 5.3378 6.3378 4.8378 6.8378 4.8031 6.8724 5.3378 6.3378 5.3169 6.3586 7.4578 4.1831 7.4924 5.0278 6.6478 5.0049 6.6706 3.5278 8 8 8 8 8 8 8 8 8 8 8 7 7 7 8 8 9 10 11 12 13 15 8 9 11 10 12 13 14 15 16 14 16 -1 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 152 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 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0703820400000000000000000000000000000000000306000000000000000C15000001A00000800000C048098003006C000020080022042002002000020200008880006088808262282111280700024C01108980780C0B00E80000100001800000000020000300000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;naphthalen-1-ol;sulfite IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;1-naphthalenol;sulfite IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;naphthalen-1-ol;sulfite IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;naphthalen-1-ol;sulfite IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;naphthalen-1-ol;sulfite IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;1-naphthol;sulfite InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C10H8O.Na.H2O3S/c11-10-7-3-5-8-4-1-2-6-9(8)10;;1-4(2)3/h1-7,11H;;(H2,1,2,3)/q;+1;/p-2 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 KIDKHIUFCDKGAZ-UHFFFAOYSA-L Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 247.00409919 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C10H8NaO4S- Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 247.22 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C2C(=C1)C=CC=C2O.[O-]S(=O)[O-].[Na+] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C2C(=C1)C=CC=C2O.[O-]S(=O)[O-].[Na+] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 103 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 247.00409919 16 0 0 0 0 0 0 0 3 -1