23721617 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 16 11 8 8 8 8 7 7 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 2 1 4 -1 1 1 1 1 2 3 7 7 7 8 9 9 9 10 10 11 12 12 13 13 14 15 15 16 16 17 17 18 19 19 20 20 21 22 23 23 24 4 5 6 15 4 14 8 12 33 11 10 11 13 14 17 16 19 20 23 25 18 21 22 18 26 24 27 28 21 29 22 30 31 32 24 34 35 1 2 2 1 7 2 1 1 1 2 1 1 2 1 2 1 2 1 1 1 1 2 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 8 -1 7 11 16 9 2 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 3.732 4.5981 2.866 3.732 4.732 2.732 3.732 2.866 3.732 3.732 2.866 3.732 4.626 2.866 3.732 2 4.626 2 4.5981 2.866 4.5981 2.866 5.5321 5.5321 4.6188 1.4631 4.6188 1.4631 5.135 2.3291 5.135 2.3291 4.269 6.0678 6.0678 -3.5 -5 5 -4.5 -3.5 -3.5 0.5 1 2.5 3.5 2 -0.5 1.9653 4 -2.5 2.5 4.0347 3.5 -1 -1 -2 -2 2.4792 3.5208 1.3454 2.19 4.6546 3.81 -0.69 -0.69 -2.31 -2.31 0.81 2.1671 3.8329 8 8 8 8 8 8 8 8 8 8 8 8 9 9 10 12 12 13 15 15 17 19 20 23 10 13 17 19 20 23 21 22 24 21 22 24 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 619 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 00000371C07B3820400000000000000000000000000000000000306080000000000000814000001E04180000000C0C81D80030C180620002A803A4724070D204402402001888193064D80820B280959180210060980008C9871888808E80040000001000000008000000200000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;4-[(2Z)-2-(4-oxo-1-naphthylidene)hydrazino]benzenesulfonate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;4-[(2Z)-2-(4-oxo-1-naphthalenylidene)hydrazinyl]benzenesulfonate IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;4-[(2<I>Z</I>)-2-(4-oxonaphthalen-1-ylidene)hydrazinyl]benzenesulfonate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;4-[(2Z)-2-(4-oxonaphthalen-1-ylidene)hydrazinyl]benzenesulfonate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;4-[(2Z)-2-(4-oxidanylidenenaphthalen-1-ylidene)hydrazinyl]benzenesulfonate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;4-[(N'Z)-N'-(4-keto-1-naphthylidene)hydrazino]besylate InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C16H12N2O4S.Na/c19-16-10-9-15(13-3-1-2-4-14(13)16)18-17-11-5-7-12(8-6-11)23(20,21)22;/h1-10,17H,(H,20,21,22);/q;+1/p-1/b18-15-; InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 HMWJVUNISIEXFR-MWIGPOFTSA-M Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 350.03372229 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C16H11N2NaO4S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 350.3 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C2C(=O)C=CC(=NNC3=CC=C(C=C3)S(=O)(=O)[O-])C2=C1.[Na+] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C2C(=O)C=C/C(=N/NC3=CC=C(C=C3)S(=O)(=O)[O-])/C2=C1.[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 2021.05.07 350.03372229 24 0 0 0 1 1 0 0 2 -1