dilithium;undecasodium;3-[[N-(2-carboxy-5-oxidoperoxysulfanylphenyl)azanidyl-C-phenylcarbonimidoyl]diazenyl]-5-[(2,6-difluoropyrimidin-4-yl)amino]-4-hydroxybenzenesulfonate;3-[[N-(2-carboxy-4-oxidoperoxysulfanylphenyl)azanidyl-C-phenylcarbonimidoyl]diazenyl]-5-[(4-fluoro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-4-hydroxybenzenesulfonate;3-[[N-(2-carboxyphenyl)azanidyl-C-(4-sulfonatophenyl)carbonimidoyl]diazenyl]-5-[[4-chloro-6-[N-methyl-3-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-4-hydroxybenzenesulfonate;tetrakis(copper(1+));3-[[4-[2-(2-ethenylsulfonylethoxy)ethylamino]-6-fluoro-1,3,5-triazin-2-yl]amino]-4-hydroxy-5-[[N-(4-oxidoperoxysulfanyl-2-sulfophenyl)azanidyl-C-phenylcarbonimidoyl]diazenyl]benzenesulfonate

C111H84ClCu4F4Li2N34Na11O47S12+4 — CID 160927992

IUPACdilithium;undecasodium;3-[[N-(2-carboxy-5-oxidoperoxysulfanylphenyl)azanidyl-C-phenylcarbonimidoyl]diazenyl]-5-[(2,6-difluoropyrimidin-4-yl)amino]-4-hydroxybenzenesulfonate;3-[[N-(2-carboxy-4-oxidoperoxysulfanylphenyl)azanidyl-C-phenylcarbonimidoyl]diazenyl]-5-[(4-fluoro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-4-hydroxybenzenesulfonate;3-[[N-(2-carboxyphenyl)azanidyl-C-(4-sulfonatophenyl)carbonimidoyl]diazenyl]-5-[[4-chloro-6-[N-methyl-3-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-4-hydroxybenzenesulfonate;tetrakis(copper(1+));3-[[4-[2-(2-ethenylsulfonylethoxy)ethylamino]-6-fluoro-1,3,5-triazin-2-yl]amino]-4-hydroxy-5-[[N-(4-oxidoperoxysulfanyl-2-sulfophenyl)azanidyl-C-phenylcarbonimidoyl]diazenyl]benzenesulfonate
SMILESC=CS(=O)(=O)CCOCCNc1nc(F)nc(Nc2cc(S(=O)(=O)[O-])cc(/N=N/C(=N[N-]c3ccc(SOO[O-])cc3S(=O)(=O)O)c3ccccc3)c2O)n1.CN(c1cccc(S(=O)(=O)CCOS(=O)(=O)[O-])c1)c1nc(Cl)nc(Nc2cc(S(=O)(=O)[O-])cc(/N=N/C(=N[N-]c3ccccc3C(=O)O)c3ccc(S(=O)(=O)[O-])cc3)c2O)n1.O=C(O)c1cc(SOO[O-])ccc1[N-]N=C(/N=N/c1cc(S(=O)(=O)[O-])cc(Nc2nc(F)nc(N3CCOCC3)n2)c1O)c1ccccc1.O=C(O)c1ccc(SOO[O-])cc1[N-]N=C(/N=N/c1cc(S(=O)(=O)[O-])cc(Nc2cc(F)nc(F)n2)c1O)c1ccccc1.[Cu+].[Cu+].[Cu+].[Cu+].[Li+].[Li+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C32H28ClN9O15S4.C28H27FN9O13S4.C27H24FN9O10S2.C24H17F2N7O9S2.4Cu.2Li.11Na/c1-42(19-5-4-6-21(15-19)58(46,47)14-13-57-61(54,55)56)32-36-30(33)35-31(37-32)34-25-16-22(60(51,52)53)17-26(27(25)43)39-41-28(18-9-11-20(12-10-18)59(48,49)50)40-38-24-8-3-2-7-23(24)29(44)45;1-2-53(41,42)13-12-49-11-10-30-27-32-26(29)33-28(34-27)31-21-15-19(54(43,44)45)16-22(24(21)39)36-38-25(17-6-4-3-5-7-17)37-35-20-9-8-18(52-51-50-40)14-23(20)55(46,47)48;28-25-30-26(32-27(31-25)37-8-10-45-11-9-37)29-20-13-17(49(42,43)44)14-21(22(20)38)34-36-23(15-4-2-1-3-5-15)35-33-19-7-6-16(48-47-46-41)12-18(19)24(39)40;25-19-11-20(29-24(26)28-19)27-17-9-14(44(38,39)40)10-18(21(17)34)31-33-22(12-4-2-1-3-5-12)32-30-16-8-13(43-42-41-37)6-7-15(16)23(35)36;;;;;;;;;;;;;;;;;/h2-12,15-17H,13-14H2,1H3,(H7,34,35,36,37,38,39,40,41,43,44,45,48,49,50,51,52,53,54,55,56);2-9,14-16H,1,10-13H2,(H6-,30,31,32,33,34,35,36,37,38,39,40,43,44,45,46,47,48);1-7,12-14H,8-11H2,(H6,29,30,31,32,33,34,35,36,38,39,40,41,42,43,44);1-11H,(H6,27,28,29,30,31,32,33,34,35,36,37,38,39,40);;;;;;;;;;;;;;;;;/q;-1;;;17*+1/p-12
InChIKeyPWSAJHNQDBQVLR-UHFFFAOYSA-B
MW3663.29 g/mol
LogP-24.86
Rot. Bonds58

About dilithium;undecasodium;3-[[N-(2-carboxy-5-oxidoperoxysulfanylphenyl)azanidyl-C-phenylcarbonimidoyl]diazenyl]-5-[(2,6-difluoropyrimidin-4-yl)amino]-4-hydroxybenzenesulfonate;3-[[N-(2-carboxy-4-oxidoperoxysulfanylphenyl)azanidyl-C-phenylcarbonimidoyl]diazenyl]-5-[(4-fluoro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-4-hydroxybenzenesulfonate;3-[[N-(2-carboxyphenyl)azanidyl-C-(4-sulfonatophenyl)carbonimidoyl]diazenyl]-5-[[4-chloro-6-[N-methyl-3-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-4-hydroxybenzenesulfonate;tetrakis(copper(1+));3-[[4-[2-(2-ethenylsulfonylethoxy)ethylamino]-6-fluoro-1,3,5-triazin-2-yl]amino]-4-hydroxy-5-[[N-(4-oxidoperoxysulfanyl-2-sulfophenyl)azanidyl-C-phenylcarbonimidoyl]diazenyl]benzenesulfonate

dilithium;undecasodium;3-[[N-(2-carboxy-5-oxidoperoxysulfanylphenyl)azanidyl-C-phenylcarbonimidoyl]diazenyl]-5-[(2,6-difluoropyrimidin-4-yl)amino]-4-hydroxybenzenesulfonate;3-[[N-(2-carboxy-4-oxidoperoxysulfanylphenyl)azanidyl-C-phenylcarbonimidoyl]diazenyl]-5-[(4-fluoro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-4-hydroxybenzenesulfonate;3-[[N-(2-carboxyphenyl)azanidyl-C-(4-sulfonatophenyl)carbonimidoyl]diazenyl]-5-[[4-chloro-6-[N-methyl-3-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-4-hydroxybenzenesulfonate;tetrakis(copper(1+));3-[[4-[2-(2-ethenylsulfonylethoxy)ethylamino]-6-fluoro-1,3,5-triazin-2-yl]amino]-4-hydroxy-5-[[N-(4-oxidoperoxysulfanyl-2-sulfophenyl)azanidyl-C-phenylcarbonimidoyl]diazenyl]benzenesulfonate (PubChem CID 160927992) has the molecular formula C111H84ClCu4F4Li2N34Na11O47S12+4 and a molecular weight of 3663.29 g/mol. Its IUPAC name is dilithium;undecasodium;3-[[N-(2-carboxy-5-oxidoperoxysulfanylphenyl)azanidyl-C-phenylcarbonimidoyl]diazenyl]-5-[(2,6-difluoropyrimidin-4-yl)amino]-4-hydroxybenzenesulfonate;3-[[N-(2-carboxy-4-oxidoperoxysulfanylphenyl)azanidyl-C-phenylcarbonimidoyl]diazenyl]-5-[(4-fluoro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-4-hydroxybenzenesulfonate;3-[[N-(2-carboxyphenyl)azanidyl-C-(4-sulfonatophenyl)carbonimidoyl]diazenyl]-5-[[4-chloro-6-[N-methyl-3-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-4-hydroxybenzenesulfonate;tetrakis(copper(1+));3-[[4-[2-(2-ethenylsulfonylethoxy)ethylamino]-6-fluoro-1,3,5-triazin-2-yl]amino]-4-hydroxy-5-[[N-(4-oxidoperoxysulfanyl-2-sulfophenyl)azanidyl-C-phenylcarbonimidoyl]diazenyl]benzenesulfonate.

Molecular Properties

Compound Namedilithium;undecasodium;3-[[N-(2-carboxy-5-oxidoperoxysulfanylphenyl)azanidyl-C-phenylcarbonimidoyl]diazenyl]-5-[(2,6-difluoropyrimidin-4-yl)amino]-4-hydroxybenzenesulfonate;3-[[N-(2-carboxy-4-oxidoperoxysulfanylphenyl)azanidyl-C-phenylcarbonimidoyl]diazenyl]-5-[(4-fluoro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-4-hydroxybenzenesulfonate;3-[[N-(2-carboxyphenyl)azanidyl-C-(4-sulfonatophenyl)carbonimidoyl]diazenyl]-5-[[4-chloro-6-[N-methyl-3-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-4-hydroxybenzenesulfonate;tetrakis(copper(1+));3-[[4-[2-(2-ethenylsulfonylethoxy)ethylamino]-6-fluoro-1,3,5-triazin-2-yl]amino]-4-hydroxy-5-[[N-(4-oxidoperoxysulfanyl-2-sulfophenyl)azanidyl-C-phenylcarbonimidoyl]diazenyl]benzenesulfonate
PubChem CID160927992
Molecular FormulaC111H84ClCu4F4Li2N34Na11O47S12+4
Molecular Weight3663.29 g/mol
Exact Mass3657.79
IUPAC Namedilithium;undecasodium;3-[[N-(2-carboxy-5-oxidoperoxysulfanylphenyl)azanidyl-C-phenylcarbonimidoyl]diazenyl]-5-[(2,6-difluoropyrimidin-4-yl)amino]-4-hydroxybenzenesulfonate;3-[[N-(2-carboxy-4-oxidoperoxysulfanylphenyl)azanidyl-C-phenylcarbonimidoyl]diazenyl]-5-[(4-fluoro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-4-hydroxybenzenesulfonate;3-[[N-(2-carboxyphenyl)azanidyl-C-(4-sulfonatophenyl)carbonimidoyl]diazenyl]-5-[[4-chloro-6-[N-methyl-3-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-4-hydroxybenzenesulfonate;tetrakis(copper(1+));3-[[4-[2-(2-ethenylsulfonylethoxy)ethylamino]-6-fluoro-1,3,5-triazin-2-yl]amino]-4-hydroxy-5-[[N-(4-oxidoperoxysulfanyl-2-sulfophenyl)azanidyl-C-phenylcarbonimidoyl]diazenyl]benzenesulfonate
SMILESC=CS(=O)(=O)CCOCCNc1nc(F)nc(Nc2cc(S(=O)(=O)[O-])cc(/N=N/C(=N[N-]c3ccc(SOO[O-])cc3S(=O)(=O)O)c3ccccc3)c2O)n1.CN(c1cccc(S(=O)(=O)CCOS(=O)(=O)[O-])c1)c1nc(Cl)nc(Nc2cc(S(=O)(=O)[O-])cc(/N=N/C(=N[N-]c3ccccc3C(=O)O)c3ccc(S(=O)(=O)[O-])cc3)c2O)n1.O=C(O)c1cc(SOO[O-])ccc1[N-]N=C(/N=N/c1cc(S(=O)(=O)[O-])cc(Nc2nc(F)nc(N3CCOCC3)n2)c1O)c1ccccc1.O=C(O)c1ccc(SOO[O-])cc1[N-]N=C(/N=N/c1cc(S(=O)(=O)[O-])cc(Nc2cc(F)nc(F)n2)c1O)c1ccccc1.[Cu+].[Cu+].[Cu+].[Cu+].[Li+].[Li+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C32H28ClN9O15S4.C28H27FN9O13S4.C27H24FN9O10S2.C24H17F2N7O9S2.4Cu.2Li.11Na/c1-42(19-5-4-6-21(15-19)58(46,47)14-13-57-61(54,55)56)32-36-30(33)35-31(37-32)34-25-16-22(60(51,52)53)17-26(27(25)43)39-41-28(18-9-11-20(12-10-18)59(48,49)50)40-38-24-8-3-2-7-23(24)29(44)45;1-2-53(41,42)13-12-49-11-10-30-27-32-26(29)33-28(34-27)31-21-15-19(54(43,44)45)16-22(24(21)39)36-38-25(17-6-4-3-5-7-17)37-35-20-9-8-18(52-51-50-40)14-23(20)55(46,47)48;28-25-30-26(32-27(31-25)37-8-10-45-11-9-37)29-20-13-17(49(42,43)44)14-21(22(20)38)34-36-23(15-4-2-1-3-5-15)35-33-19-7-6-16(48-47-46-41)12-18(19)24(39)40;25-19-11-20(29-24(26)28-19)27-17-9-14(44(38,39)40)10-18(21(17)34)31-33-22(12-4-2-1-3-5-12)32-30-16-8-13(43-42-41-37)6-7-15(16)23(35)36;;;;;;;;;;;;;;;;;/h2-12,15-17H,13-14H2,1H3,(H7,34,35,36,37,38,39,40,41,43,44,45,48,49,50,51,52,53,54,55,56);2-9,14-16H,1,10-13H2,(H6-,30,31,32,33,34,35,36,37,38,39,40,43,44,45,46,47,48);1-7,12-14H,8-11H2,(H6,29,30,31,32,33,34,35,36,38,39,40,41,42,43,44);1-11H,(H6,27,28,29,30,31,32,33,34,35,36,37,38,39,40);;;;;;;;;;;;;;;;;/q;-1;;;17*+1/p-12
InChIKeyPWSAJHNQDBQVLR-UHFFFAOYSA-B
XLogP-24.86
TPSA1224.06 Ų
H-Bond Donors13
H-Bond Acceptors72
Rotatable Bonds58
Heavy Atoms226
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003663.29
LogP ≤ 5-24.86
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1072

Analyze dilithium;undecasodium;3-[[N-(2-carboxy-5-oxidoperoxysulfanylphenyl)azanidyl-C-phenylcarbonimidoyl]diazenyl]-5-[(2,6-difluoropyrimidin-4-yl)amino]-4-hydroxybenzenesulfonate;3-[[N-(2-carboxy-4-oxidoperoxysulfanylphenyl)azanidyl-C-phenylcarbonimidoyl]diazenyl]-5-[(4-fluoro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-4-hydroxybenzenesulfonate;3-[[N-(2-carboxyphenyl)azanidyl-C-(4-sulfonatophenyl)carbonimidoyl]diazenyl]-5-[[4-chloro-6-[N-methyl-3-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-4-hydroxybenzenesulfonate;tetrakis(copper(1+));3-[[4-[2-(2-ethenylsulfonylethoxy)ethylamino]-6-fluoro-1,3,5-triazin-2-yl]amino]-4-hydroxy-5-[[N-(4-oxidoperoxysulfanyl-2-sulfophenyl)azanidyl-C-phenylcarbonimidoyl]diazenyl]benzenesulfonate with MolForge

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Frequently Asked Questions

What is the IUPAC name of dilithium;undecasodium;3-[[N-(2-carboxy-5-oxidoperoxysulfanylphenyl)azanidyl-C-phenylcarbonimidoyl]diazenyl]-5-[(2,6-difluoropyrimidin-4-yl)amino]-4-hydroxybenzenesulfonate;3-[[N-(2-carboxy-4-oxidoperoxysulfanylphenyl)azanidyl-C-phenylcarbonimidoyl]diazenyl]-5-[(4-fluoro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-4-hydroxybenzenesulfonate;3-[[N-(2-carboxyphenyl)azanidyl-C-(4-sulfonatophenyl)carbonimidoyl]diazenyl]-5-[[4-chloro-6-[N-methyl-3-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-4-hydroxybenzenesulfonate;tetrakis(copper(1+));3-[[4-[2-(2-ethenylsulfonylethoxy)ethylamino]-6-fluoro-1,3,5-triazin-2-yl]amino]-4-hydroxy-5-[[N-(4-oxidoperoxysulfanyl-2-sulfophenyl)azanidyl-C-phenylcarbonimidoyl]diazenyl]benzenesulfonate?
The IUPAC name of dilithium;undecasodium;3-[[N-(2-carboxy-5-oxidoperoxysulfanylphenyl)azanidyl-C-phenylcarbonimidoyl]diazenyl]-5-[(2,6-difluoropyrimidin-4-yl)amino]-4-hydroxybenzenesulfonate;3-[[N-(2-carboxy-4-oxidoperoxysulfanylphenyl)azanidyl-C-phenylcarbonimidoyl]diazenyl]-5-[(4-fluoro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-4-hydroxybenzenesulfonate;3-[[N-(2-carboxyphenyl)azanidyl-C-(4-sulfonatophenyl)carbonimidoyl]diazenyl]-5-[[4-chloro-6-[N-methyl-3-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-4-hydroxybenzenesulfonate;tetrakis(copper(1+));3-[[4-[2-(2-ethenylsulfonylethoxy)ethylamino]-6-fluoro-1,3,5-triazin-2-yl]amino]-4-hydroxy-5-[[N-(4-oxidoperoxysulfanyl-2-sulfophenyl)azanidyl-C-phenylcarbonimidoyl]diazenyl]benzenesulfonate (CID 160927992) is dilithium;undecasodium;3-[[N-(2-carboxy-5-oxidoperoxysulfanylphenyl)azanidyl-C-phenylcarbonimidoyl]diazenyl]-5-[(2,6-difluoropyrimidin-4-yl)amino]-4-hydroxybenzenesulfonate;3-[[N-(2-carboxy-4-oxidoperoxysulfanylphenyl)azanidyl-C-phenylcarbonimidoyl]diazenyl]-5-[(4-fluoro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-4-hydroxybenzenesulfonate;3-[[N-(2-carboxyphenyl)azanidyl-C-(4-sulfonatophenyl)carbonimidoyl]diazenyl]-5-[[4-chloro-6-[N-methyl-3-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-4-hydroxybenzenesulfonate;tetrakis(copper(1+));3-[[4-[2-(2-ethenylsulfonylethoxy)ethylamino]-6-fluoro-1,3,5-triazin-2-yl]amino]-4-hydroxy-5-[[N-(4-oxidoperoxysulfanyl-2-sulfophenyl)azanidyl-C-phenylcarbonimidoyl]diazenyl]benzenesulfonate.
What is the SMILES notation for dilithium;undecasodium;3-[[N-(2-carboxy-5-oxidoperoxysulfanylphenyl)azanidyl-C-phenylcarbonimidoyl]diazenyl]-5-[(2,6-difluoropyrimidin-4-yl)amino]-4-hydroxybenzenesulfonate;3-[[N-(2-carboxy-4-oxidoperoxysulfanylphenyl)azanidyl-C-phenylcarbonimidoyl]diazenyl]-5-[(4-fluoro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-4-hydroxybenzenesulfonate;3-[[N-(2-carboxyphenyl)azanidyl-C-(4-sulfonatophenyl)carbonimidoyl]diazenyl]-5-[[4-chloro-6-[N-methyl-3-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-4-hydroxybenzenesulfonate;tetrakis(copper(1+));3-[[4-[2-(2-ethenylsulfonylethoxy)ethylamino]-6-fluoro-1,3,5-triazin-2-yl]amino]-4-hydroxy-5-[[N-(4-oxidoperoxysulfanyl-2-sulfophenyl)azanidyl-C-phenylcarbonimidoyl]diazenyl]benzenesulfonate?
The canonical SMILES for dilithium;undecasodium;3-[[N-(2-carboxy-5-oxidoperoxysulfanylphenyl)azanidyl-C-phenylcarbonimidoyl]diazenyl]-5-[(2,6-difluoropyrimidin-4-yl)amino]-4-hydroxybenzenesulfonate;3-[[N-(2-carboxy-4-oxidoperoxysulfanylphenyl)azanidyl-C-phenylcarbonimidoyl]diazenyl]-5-[(4-fluoro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-4-hydroxybenzenesulfonate;3-[[N-(2-carboxyphenyl)azanidyl-C-(4-sulfonatophenyl)carbonimidoyl]diazenyl]-5-[[4-chloro-6-[N-methyl-3-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-4-hydroxybenzenesulfonate;tetrakis(copper(1+));3-[[4-[2-(2-ethenylsulfonylethoxy)ethylamino]-6-fluoro-1,3,5-triazin-2-yl]amino]-4-hydroxy-5-[[N-(4-oxidoperoxysulfanyl-2-sulfophenyl)azanidyl-C-phenylcarbonimidoyl]diazenyl]benzenesulfonate is C=CS(=O)(=O)CCOCCNc1nc(F)nc(Nc2cc(S(=O)(=O)[O-])cc(/N=N/C(=N[N-]c3ccc(SOO[O-])cc3S(=O)(=O)O)c3ccccc3)c2O)n1.CN(c1cccc(S(=O)(=O)CCOS(=O)(=O)[O-])c1)c1nc(Cl)nc(Nc2cc(S(=O)(=O)[O-])cc(/N=N/C(=N[N-]c3ccccc3C(=O)O)c3ccc(S(=O)(=O)[O-])cc3)c2O)n1.O=C(O)c1cc(SOO[O-])ccc1[N-]N=C(/N=N/c1cc(S(=O)(=O)[O-])cc(Nc2nc(F)nc(N3CCOCC3)n2)c1O)c1ccccc1.O=C(O)c1ccc(SOO[O-])cc1[N-]N=C(/N=N/c1cc(S(=O)(=O)[O-])cc(Nc2cc(F)nc(F)n2)c1O)c1ccccc1.[Cu+].[Cu+].[Cu+].[Cu+].[Li+].[Li+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of dilithium;undecasodium;3-[[N-(2-carboxy-5-oxidoperoxysulfanylphenyl)azanidyl-C-phenylcarbonimidoyl]diazenyl]-5-[(2,6-difluoropyrimidin-4-yl)amino]-4-hydroxybenzenesulfonate;3-[[N-(2-carboxy-4-oxidoperoxysulfanylphenyl)azanidyl-C-phenylcarbonimidoyl]diazenyl]-5-[(4-fluoro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-4-hydroxybenzenesulfonate;3-[[N-(2-carboxyphenyl)azanidyl-C-(4-sulfonatophenyl)carbonimidoyl]diazenyl]-5-[[4-chloro-6-[N-methyl-3-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-4-hydroxybenzenesulfonate;tetrakis(copper(1+));3-[[4-[2-(2-ethenylsulfonylethoxy)ethylamino]-6-fluoro-1,3,5-triazin-2-yl]amino]-4-hydroxy-5-[[N-(4-oxidoperoxysulfanyl-2-sulfophenyl)azanidyl-C-phenylcarbonimidoyl]diazenyl]benzenesulfonate?
The InChIKey is PWSAJHNQDBQVLR-UHFFFAOYSA-B. The full InChI is InChI=1S/C32H28ClN9O15S4.C28H27FN9O13S4.C27H24FN9O10S2.C24H17F2N7O9S2.4Cu.2Li.11Na/c1-42(19-5-4-6-21(15-19)58(46,47)14-13-57-61(54,55)56)32-36-30(33)35-31(37-32)34-25-16-22(60(51,52)53)17-26(27(25)43)39-41-28(18-9-11-20(12-10-18)59(48,49)50)40-38-24-8-3-2-7-23(24)29(44)45;1-2-53(41,42)13-12-49-11-10-30-27-32-26(29)33-28(34-27)31-21-15-19(54(43,44)45)16-22(24(21)39)36-38-25(17-6-4-3-5-7-17)37-35-20-9-8-18(52-51-50-40)14-23(20)55(46,47)48;28-25-30-26(32-27(31-25)37-8-10-45-11-9-37)29-20-13-17(49(42,43)44)14-21(22(20)38)34-36-23(15-4-2-1-3-5-15)35-33-19-7-6-16(48-47-46-41)12-18(19)24(39)40;25-19-11-20(29-24(26)28-19)27-17-9-14(44(38,39)40)10-18(21(17)34)31-33-22(12-4-2-1-3-5-12)32-30-16-8-13(43-42-41-37)6-7-15(16)23(35)36;;;;;;;;;;;;;;;;;/h2-12,15-17H,13-14H2,1H3,(H7,34,35,36,37,38,39,40,41,43,44,45,48,49,50,51,52,53,54,55,56);2-9,14-16H,1,10-13H2,(H6-,30,31,32,33,34,35,36,37,38,39,40,43,44,45,46,47,48);1-7,12-14H,8-11H2,(H6,29,30,31,32,33,34,35,36,38,39,40,41,42,43,44);1-11H,(H6,27,28,29,30,31,32,33,34,35,36,37,38,39,40);;;;;;;;;;;;;;;;;/q;-1;;;17*+1/p-12.
What are the key properties of dilithium;undecasodium;3-[[N-(2-carboxy-5-oxidoperoxysulfanylphenyl)azanidyl-C-phenylcarbonimidoyl]diazenyl]-5-[(2,6-difluoropyrimidin-4-yl)amino]-4-hydroxybenzenesulfonate;3-[[N-(2-carboxy-4-oxidoperoxysulfanylphenyl)azanidyl-C-phenylcarbonimidoyl]diazenyl]-5-[(4-fluoro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-4-hydroxybenzenesulfonate;3-[[N-(2-carboxyphenyl)azanidyl-C-(4-sulfonatophenyl)carbonimidoyl]diazenyl]-5-[[4-chloro-6-[N-methyl-3-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-4-hydroxybenzenesulfonate;tetrakis(copper(1+));3-[[4-[2-(2-ethenylsulfonylethoxy)ethylamino]-6-fluoro-1,3,5-triazin-2-yl]amino]-4-hydroxy-5-[[N-(4-oxidoperoxysulfanyl-2-sulfophenyl)azanidyl-C-phenylcarbonimidoyl]diazenyl]benzenesulfonate?
dilithium;undecasodium;3-[[N-(2-carboxy-5-oxidoperoxysulfanylphenyl)azanidyl-C-phenylcarbonimidoyl]diazenyl]-5-[(2,6-difluoropyrimidin-4-yl)amino]-4-hydroxybenzenesulfonate;3-[[N-(2-carboxy-4-oxidoperoxysulfanylphenyl)azanidyl-C-phenylcarbonimidoyl]diazenyl]-5-[(4-fluoro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-4-hydroxybenzenesulfonate;3-[[N-(2-carboxyphenyl)azanidyl-C-(4-sulfonatophenyl)carbonimidoyl]diazenyl]-5-[[4-chloro-6-[N-methyl-3-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-4-hydroxybenzenesulfonate;tetrakis(copper(1+));3-[[4-[2-(2-ethenylsulfonylethoxy)ethylamino]-6-fluoro-1,3,5-triazin-2-yl]amino]-4-hydroxy-5-[[N-(4-oxidoperoxysulfanyl-2-sulfophenyl)azanidyl-C-phenylcarbonimidoyl]diazenyl]benzenesulfonate has a molecular weight of 3663.29 g/mol, XLogP of -24.86, 58 rotatable bonds, 13 hydrogen bond donors, and 72 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;undecasodium;3-[[N-(2-carboxy-5-oxidoperoxysulfanylphenyl)azanidyl-C-phenylcarbonimidoyl]diazenyl]-5-[(2,6-difluoropyrimidin-4-yl)amino]-4-hydroxybenzenesulfonate;3-[[N-(2-carboxy-4-oxidoperoxysulfanylphenyl)azanidyl-C-phenylcarbonimidoyl]diazenyl]-5-[(4-fluoro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-4-hydroxybenzenesulfonate;3-[[N-(2-carboxyphenyl)azanidyl-C-(4-sulfonatophenyl)carbonimidoyl]diazenyl]-5-[[4-chloro-6-[N-methyl-3-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-4-hydroxybenzenesulfonate;tetrakis(copper(1+));3-[[4-[2-(2-ethenylsulfonylethoxy)ethylamino]-6-fluoro-1,3,5-triazin-2-yl]amino]-4-hydroxy-5-[[N-(4-oxidoperoxysulfanyl-2-sulfophenyl)azanidyl-C-phenylcarbonimidoyl]diazenyl]benzenesulfonate is sourced from PubChem (CID 160927992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).