23722700 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 16 11 8 8 8 8 7 7 6 6 6 6 6 6 6 6 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 2 1 3 -1 1 1 1 1 2 6 7 7 7 8 9 9 9 10 10 11 12 13 13 14 15 15 16 16 17 17 17 18 19 19 20 20 21 22 23 23 24 24 25 25 26 27 27 28 3 4 5 11 3 22 8 12 33 18 10 11 15 12 16 13 14 14 29 30 20 31 21 32 18 19 23 22 24 25 21 34 35 26 27 36 26 37 28 38 39 28 40 41 1 2 2 1 7 2 1 1 1 2 1 1 2 1 2 2 2 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 1 1 1 1 2 1 1 1 1 2 1 1 8 -1 7 18 17 22 3 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 5.5321 4.666 5.5321 4.5321 6.5321 6.3981 5.5321 4.666 6.3981 6.3981 5.5321 5.5321 4.666 4.666 7.292 7.292 3.8 4.666 3.8 8.1981 8.1981 5.5321 2.9061 4.666 2.9061 5.5321 2 2 4.1291 4.1291 7.2849 7.2849 6.069 8.7338 8.7338 2.9132 4.666 2.9132 6.069 1.4643 1.4643 -3.0173 -4.5173 -4.0173 -3.0173 -3.0173 2.4827 0.9827 1.4827 -1.5173 -0.5173 -2.0173 -0.0173 -1.5173 -0.5173 -2.052 0.0173 2.9827 2.4827 3.9827 -1.5381 -0.4965 2.9827 2.448 4.4827 4.5173 3.9827 2.9618 4.0035 -1.8273 -0.2073 -2.672 0.6373 1.2927 -1.8502 -0.1844 1.828 5.1027 5.1373 4.2927 2.6498 4.3156 1 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 10 10 11 12 13 15 16 17 17 19 20 23 25 27 18 10 11 15 12 16 13 14 14 20 21 19 23 25 21 27 28 28 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 746 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07B38204000000000000000000000000000000000003060C1000000000000C15400001E04180000000C0C81D80030C1C0620002A803A4724070D204402002001888192064D80820B280959180200060980008C9871888808E800400C00016000000080180002C0000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;4-[2-(2-oxo-1-naphthylidene)hydrazino]naphthalene-1-sulfonate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;4-[2-(2-oxo-1-naphthalenylidene)hydrazinyl]-1-naphthalenesulfonate IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;4-[2-(2-oxonaphthalen-1-ylidene)hydrazinyl]naphthalene-1-sulfonate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;4-[2-(2-oxonaphthalen-1-ylidene)hydrazinyl]naphthalene-1-sulfonate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;4-[2-(2-oxidanylidenenaphthalen-1-ylidene)hydrazinyl]naphthalene-1-sulfonate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;4-[N'-(2-keto-1-naphthylidene)hydrazino]naphthalene-1-sulfonate InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C20H14N2O4S.Na/c23-18-11-9-13-5-1-2-6-14(13)20(18)22-21-17-10-12-19(27(24,25)26)16-8-4-3-7-15(16)17;/h1-12,21H,(H,24,25,26);/q;+1/p-1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 YCRBPWIFISBYGJ-UHFFFAOYSA-M Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 400.04937236 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C20H13N2NaO4S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 400.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C2C(=C1)C=CC(=O)C2=NNC3=CC=C(C4=CC=CC=C43)S(=O)(=O)[O-].[Na+] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C2C(=C1)C=CC(=O)C2=NNC3=CC=C(C4=CC=CC=C43)S(=O)(=O)[O-].[Na+] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 107 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 400.04937236 28 0 0 0 1 0 1 0 2 -1