6537679 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 44 33 16 16 11 11 8 8 8 8 8 8 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 4 1 5 1 7 -1 10 -1 1 1 1 1 2 2 2 2 3 3 3 3 6 13 14 16 16 17 17 18 18 18 19 19 20 21 21 22 23 23 25 26 26 27 28 28 29 30 30 31 31 32 32 33 13 14 15 29 7 8 9 21 10 11 12 25 24 43 44 17 20 28 38 19 20 26 22 23 24 22 24 34 25 35 27 27 36 37 29 30 31 32 39 33 40 33 41 42 1 1 2 1 1 2 2 1 1 2 2 1 2 1 1 1 2 1 1 2 1 1 1 1 1 2 1 1 2 1 1 2 1 1 1 2 2 1 1 1 1 2 1 1 16 -1 17 20 24 18 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 36 37 38 39 40 41 42 43 44 7.1962 2.866 8.1282 2 9.8602 2.866 2 3.366 2.366 8.9923 8.6315 7.6249 8.0622 7.6962 6.6962 4.5981 5.4641 5.4641 5.4641 4.5981 3.732 4.5981 6.358 3.732 7.2641 6.358 7.2641 5.4641 6.3301 4.5981 6.3301 4.5981 5.4641 4.5981 6.3509 6.3509 7.7998 6.001 4.0611 6.8671 4.0611 5.4641 8.5991 8.3162 -2 2.5 2.5242 4 2.5308 0.5 3 3.366 1.634 3.0275 1.6601 3.3882 -1.5 -2.866 -1.134 -0.5 -1 1 2 0.5 2 2.5 2.5347 1 2.0208 0.4653 0.9792 -2 -2.5 -2.5 -3.5 -3.5 -4 3.12 3.1546 -0.1546 0.6671 -0.69 -2.19 -3.81 -3.81 -4.62 -1.81 -2.866 8 8 8 8 8 8 8 8 8 8 8 8 18 18 19 23 25 26 28 28 29 30 31 32 19 26 23 25 27 27 29 30 31 32 33 33 0 Compound Canonicalized 5 2010.07.16 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 1020 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 12 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 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 00000371C07B3C30600000004000000000000000000000000000306080000000000000814000001E05180800000C0C81D80030C180620002A803A4724070D20440200200988C192064D80820B280959180201060980008C9871888808E90000080001000002000010000200000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 disodium;(4E)-4-[(2-arsonophenyl)hydrazono]-3-oxo-naphthalene-2,7-disulfonate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 disodium;(4E)-4-[(2-arsonophenyl)hydrazinylidene]-3-oxonaphthalene-2,7-disulfonate IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 disodium;(4<I>E</I>)-4-[(2-arsonophenyl)hydrazinylidene]-3-oxonaphthalene-2,7-disulfonate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 disodium;(4E)-4-[(2-arsonophenyl)hydrazinylidene]-3-oxonaphthalene-2,7-disulfonate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 disodium;(4E)-4-[(2-arsonophenyl)hydrazinylidene]-3-oxidanylidene-naphthalene-2,7-disulfonate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 disodium;(4E)-4-[(2-arsonophenyl)hydrazono]-3-keto-naphthalene-2,7-disulfonate InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C16H13AsN2O10S2.2Na/c20-16-14(31(27,28)29)8-9-7-10(30(24,25)26)5-6-11(9)15(16)19-18-13-4-2-1-3-12(13)17(21,22)23;;/h1-8,18H,(H2,21,22,23)(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2/b19-15+;; InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 ZQMPNLOZJUWHSA-WTBAQZMLSA-L Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 575.886645 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C16H11AsN2Na2O10S2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 576.3 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C(=C1)NN=C2C3=C(C=C(C=C3)S(=O)(=O)[O-])C=C(C2=O)S(=O)(=O)[O-])[As](=O)(O)O.[Na+].[Na+] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C(=C1)N/N=C/2\C3=C(C=C(C=C3)S(=O)(=O)[O-])C=C(C2=O)S(=O)(=O)[O-])[As](=O)(O)O.[Na+].[Na+] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 230 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 575.886645 33 0 0 0 1 1 0 0 3 -1