6537642 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 45 16 16 11 11 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 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 4 1 6 -1 9 -1 1 1 1 1 2 2 2 2 5 12 12 12 13 14 14 15 15 15 16 17 17 18 18 19 20 20 20 21 22 23 23 25 25 26 26 27 28 28 29 29 29 30 31 31 31 6 7 8 16 9 10 11 19 24 13 14 35 23 16 17 18 19 25 21 22 29 24 26 28 21 22 31 32 33 24 27 27 34 30 36 37 30 38 39 40 41 42 43 44 45 1 2 2 1 1 2 2 1 2 1 1 1 2 1 2 2 1 1 2 1 1 1 1 2 1 2 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 13 -1 12 23 27 24 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 45 5.4641 8.9446 9.7932 6.3301 7.1962 6.3301 4.9641 5.9641 8.933 9.9445 7.9446 5.4641 5.4641 4.5981 8.0622 4.5981 3.732 8.0622 8.9561 2.866 3.732 2.866 6.3301 7.1962 7.1962 8.9561 6.3301 9.8622 3.732 9.8622 2 3.732 2.3291 7.1962 6.001 8.949 5.7932 10.3979 3.112 3.732 4.352 10.3979 2.31 1.4631 1.69 3.0222 -3.0123 -4.5222 4.5222 1.0223 3.5222 3.8883 2.1562 -4.0123 -3.0239 -3.0008 1.0223 0.0223 1.5223 -1.4777 2.5222 1.0223 -0.4777 -2.0124 2.5222 3.0222 1.5223 -0.4777 0.0223 -1.9778 0.0569 -1.4777 -1.4986 0.0223 -0.4569 3.0222 3.6422 1.2122 -2.5978 1.3322 0.6769 -1.7878 -1.8106 0.0223 -0.5977 0.0223 -0.1449 3.5592 3.3322 2.4853 8 8 8 8 8 8 8 8 8 8 8 8 14 14 15 15 16 17 18 19 20 20 26 28 16 17 18 19 21 22 26 28 21 22 30 30 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 888 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 9 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 00000371C07B3830600000000000000000000000000000000000306080000000000000814000001E04180000000C0C81D80032C180620002A803A4724070D2044024000018881D3044D808203280959180210060880008C9871888C08E880002800016010010000500002C0200000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 disodium;(6Z)-6-[(2,4-dimethyl-6-sulfonato-phenyl)hydrazono]-5-oxo-naphthalene-1-sulfonate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 disodium;(6Z)-6-[(2,4-dimethyl-6-sulfonatophenyl)hydrazinylidene]-5-oxo-1-naphthalenesulfonate IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 disodium;(6<I>Z</I>)-6-[(2,4-dimethyl-6-sulfonatophenyl)hydrazinylidene]-5-oxonaphthalene-1-sulfonate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 disodium;(6Z)-6-[(2,4-dimethyl-6-sulfonatophenyl)hydrazinylidene]-5-oxonaphthalene-1-sulfonate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 disodium;(6Z)-6-[(2,4-dimethyl-6-sulfonato-phenyl)hydrazinylidene]-5-oxidanylidene-naphthalene-1-sulfonate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 disodium;(6Z)-6-[(2,4-dimethyl-6-sulfonato-phenyl)hydrazono]-5-keto-naphthalene-1-sulfonate InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C18H16N2O7S2.2Na/c1-10-8-11(2)17(16(9-10)29(25,26)27)20-19-14-7-6-12-13(18(14)21)4-3-5-15(12)28(22,23)24;;/h3-9,20H,1-2H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2/b19-14-;; InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 AQJHOKDCKYSJAS-MHZTUVSFSA-L Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 480.00378170 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C18H14N2Na2O7S2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 480.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC(=C(C(=C1)S(=O)(=O)[O-])NN=C2C=CC3=C(C2=O)C=CC=C3S(=O)(=O)[O-])C.[Na+].[Na+] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC(=C(C(=C1)S(=O)(=O)[O-])N/N=C\2/C=CC3=C(C2=O)C=CC=C3S(=O)(=O)[O-])C.[Na+].[Na+] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 173 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 480.00378170 31 0 0 0 1 1 0 0 3 -1