lithium;nonadecasodium;2-[4-[[2-acetamido-4-[bis(2-oxidoperoxysulfanyloxyethyl)amino]-5-methoxyphenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-acetamido-4-[ethyl(2-oxidoperoxysulfinylethyl)amino]-5-methoxyphenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-acetamido-4-[2-isocyanoethyl(2-oxidoperoxysulfanyloxyethyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-acetamido-4-(2-oxidoperoxysulfanyloxyethylamino)phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-amino-4-[bis(2-oxidoperoxysulfanylethyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-amino-4-[2-isocyanoethyl(2-sulfooxyethyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[3-[[4-[bis(2-oxidoperoxysulfanyloxyethyl)amino]-2-chlorophenyl]diazenyl]-4-methoxyphenyl]sulfonylethyl sulfate;2-[4-[[2-chloro-4-[ethyl(2-oxidoperoxysulfanyloxyethyl)amino]-5-methoxyphenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[5-methoxy-2-nitro-4-[2-oxidoperoxysulfanyloxyethyl(propyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate

C176H204Cl2LiN36Na19O111S30 — CID 162041715

IUPAClithium;nonadecasodium;2-[4-[[2-acetamido-4-[bis(2-oxidoperoxysulfanyloxyethyl)amino]-5-methoxyphenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-acetamido-4-[ethyl(2-oxidoperoxysulfinylethyl)amino]-5-methoxyphenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-acetamido-4-[2-isocyanoethyl(2-oxidoperoxysulfanyloxyethyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-acetamido-4-(2-oxidoperoxysulfanyloxyethylamino)phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-amino-4-[bis(2-oxidoperoxysulfanylethyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-amino-4-[2-isocyanoethyl(2-sulfooxyethyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[3-[[4-[bis(2-oxidoperoxysulfanyloxyethyl)amino]-2-chlorophenyl]diazenyl]-4-methoxyphenyl]sulfonylethyl sulfate;2-[4-[[2-chloro-4-[ethyl(2-oxidoperoxysulfanyloxyethyl)amino]-5-methoxyphenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[5-methoxy-2-nitro-4-[2-oxidoperoxysulfanyloxyethyl(propyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate
SMILESCC(=O)Nc1cc(NCCOSOO[O-])ccc1/N=N/c1ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc1.CCCN(CCOSOO[O-])c1cc([N+](=O)[O-])c(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc2)cc1OC.CCN(CCOSOO[O-])c1cc(Cl)c(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc2)cc1OC.CCN(CCS(=O)OO[O-])c1cc(NC(C)=O)c(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc2)cc1OC.COc1cc(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc2)c(NC(C)=O)cc1N(CCOSOO[O-])CCOSOO[O-].COc1ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc1/N=N/c1ccc(N(CCOSOO[O-])CCOSOO[O-])cc1Cl.Nc1cc(N(CCSOO[O-])CCSOO[O-])ccc1/N=N/c1ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc1.[C-]#[N+]CCN(CCOS(=O)(=O)O)c1ccc(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc2)c(N)c1.[C-]#[N+]CCN(CCOSOO[O-])c1ccc(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc2)c(NC(C)=O)c1.[Li+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C21H25N5O11S3.C21H28N4O16S4.C21H28N4O12S3.C20H26N4O13S3.C19H24ClN3O15S4.C19H24ClN3O11S3.C19H23N5O10S3.C18H24N4O12S4.C18H22N4O11S3.Li.19Na/c1-16(27)23-21-15-18(26(10-9-22-2)11-12-34-38-37-36-28)5-8-20(21)25-24-17-3-6-19(7-4-17)39(29,30)14-13-35-40(31,32)33;1-15(26)22-18-13-20(25(7-9-35-42-40-38-27)8-10-36-43-41-39-28)21(34-2)14-19(18)24-23-16-3-5-17(6-4-16)44(29,30)12-11-37-45(31,32)33;1-4-25(9-11-38(28)37-36-27)20-13-18(22-15(2)26)19(14-21(20)34-3)24-23-16-5-7-17(8-6-16)39(29,30)12-10-35-40(31,32)33;1-3-8-23(9-10-34-38-37-36-27)19-14-18(24(25)26)17(13-20(19)33-2)22-21-15-4-6-16(7-5-15)39(28,29)12-11-35-40(30,31)32;1-31-19-5-3-15(41(26,27)11-10-34-42(28,29)30)13-18(19)22-21-17-4-2-14(12-16(17)20)23(6-8-32-39-37-35-24)7-9-33-40-38-36-25;1-3-23(8-9-31-35-34-33-24)18-12-16(20)17(13-19(18)30-2)22-21-14-4-6-15(7-5-14)36(25,26)11-10-32-37(27,28)29;1-21-8-9-24(10-11-33-36(27,28)29)16-4-7-19(18(20)14-16)23-22-15-2-5-17(6-3-15)35(25,26)13-12-34-37(30,31)32;19-17-13-15(22(7-10-35-33-31-23)8-11-36-34-32-24)3-6-18(17)21-20-14-1-4-16(5-2-14)37(25,26)12-9-30-38(27,28)29;1-13(23)20-18-12-15(19-8-9-30-34-33-32-24)4-7-17(18)22-21-14-2-5-16(6-3-14)35(25,26)11-10-31-36(27,28)29;;;;;;;;;;;;;;;;;;;;/h3-8,15,28H,9-14H2,1H3,(H,23,27)(H,31,32,33);3-6,13-14,27-28H,7-12H2,1-2H3,(H,22,26)(H,31,32,33);5-8,13-14,27H,4,9-12H2,1-3H3,(H,22,26)(H,31,32,33);4-7,13-14,27H,3,8-12H2,1-2H3,(H,30,31,32);2-5,12-13,24-25H,6-11H2,1H3,(H,28,29,30);4-7,12-13,24H,3,8-11H2,1-2H3,(H,27,28,29);2-7,14H,8-13,20H2,(H,27,28,29)(H,30,31,32);1-6,13,23-24H,7-12,19H2,(H,27,28,29);2-7,12,19,24H,8-11H2,1H3,(H,20,23)(H,27,28,29);;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;20*+1/p-20/b25-24+;2*24-23+;3*22-21+;23-22+;21-20+;22-21+;;;;;;;;;;;;;;;;;;;;
InChIKeyYXJDSPKHENBAAI-WWIYISSOSA-A
MW6076.38 g/mol
LogP-46.46
Rot. Bonds157

About lithium;nonadecasodium;2-[4-[[2-acetamido-4-[bis(2-oxidoperoxysulfanyloxyethyl)amino]-5-methoxyphenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-acetamido-4-[ethyl(2-oxidoperoxysulfinylethyl)amino]-5-methoxyphenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-acetamido-4-[2-isocyanoethyl(2-oxidoperoxysulfanyloxyethyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-acetamido-4-(2-oxidoperoxysulfanyloxyethylamino)phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-amino-4-[bis(2-oxidoperoxysulfanylethyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-amino-4-[2-isocyanoethyl(2-sulfooxyethyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[3-[[4-[bis(2-oxidoperoxysulfanyloxyethyl)amino]-2-chlorophenyl]diazenyl]-4-methoxyphenyl]sulfonylethyl sulfate;2-[4-[[2-chloro-4-[ethyl(2-oxidoperoxysulfanyloxyethyl)amino]-5-methoxyphenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[5-methoxy-2-nitro-4-[2-oxidoperoxysulfanyloxyethyl(propyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate

lithium;nonadecasodium;2-[4-[[2-acetamido-4-[bis(2-oxidoperoxysulfanyloxyethyl)amino]-5-methoxyphenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-acetamido-4-[ethyl(2-oxidoperoxysulfinylethyl)amino]-5-methoxyphenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-acetamido-4-[2-isocyanoethyl(2-oxidoperoxysulfanyloxyethyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-acetamido-4-(2-oxidoperoxysulfanyloxyethylamino)phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-amino-4-[bis(2-oxidoperoxysulfanylethyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-amino-4-[2-isocyanoethyl(2-sulfooxyethyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[3-[[4-[bis(2-oxidoperoxysulfanyloxyethyl)amino]-2-chlorophenyl]diazenyl]-4-methoxyphenyl]sulfonylethyl sulfate;2-[4-[[2-chloro-4-[ethyl(2-oxidoperoxysulfanyloxyethyl)amino]-5-methoxyphenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[5-methoxy-2-nitro-4-[2-oxidoperoxysulfanyloxyethyl(propyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate (PubChem CID 162041715) has the molecular formula C176H204Cl2LiN36Na19O111S30 and a molecular weight of 6076.38 g/mol. Its IUPAC name is lithium;nonadecasodium;2-[4-[[2-acetamido-4-[bis(2-oxidoperoxysulfanyloxyethyl)amino]-5-methoxyphenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-acetamido-4-[ethyl(2-oxidoperoxysulfinylethyl)amino]-5-methoxyphenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-acetamido-4-[2-isocyanoethyl(2-oxidoperoxysulfanyloxyethyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-acetamido-4-(2-oxidoperoxysulfanyloxyethylamino)phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-amino-4-[bis(2-oxidoperoxysulfanylethyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-amino-4-[2-isocyanoethyl(2-sulfooxyethyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[3-[[4-[bis(2-oxidoperoxysulfanyloxyethyl)amino]-2-chlorophenyl]diazenyl]-4-methoxyphenyl]sulfonylethyl sulfate;2-[4-[[2-chloro-4-[ethyl(2-oxidoperoxysulfanyloxyethyl)amino]-5-methoxyphenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[5-methoxy-2-nitro-4-[2-oxidoperoxysulfanyloxyethyl(propyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate.

Molecular Properties

Compound Namelithium;nonadecasodium;2-[4-[[2-acetamido-4-[bis(2-oxidoperoxysulfanyloxyethyl)amino]-5-methoxyphenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-acetamido-4-[ethyl(2-oxidoperoxysulfinylethyl)amino]-5-methoxyphenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-acetamido-4-[2-isocyanoethyl(2-oxidoperoxysulfanyloxyethyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-acetamido-4-(2-oxidoperoxysulfanyloxyethylamino)phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-amino-4-[bis(2-oxidoperoxysulfanylethyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-amino-4-[2-isocyanoethyl(2-sulfooxyethyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[3-[[4-[bis(2-oxidoperoxysulfanyloxyethyl)amino]-2-chlorophenyl]diazenyl]-4-methoxyphenyl]sulfonylethyl sulfate;2-[4-[[2-chloro-4-[ethyl(2-oxidoperoxysulfanyloxyethyl)amino]-5-methoxyphenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[5-methoxy-2-nitro-4-[2-oxidoperoxysulfanyloxyethyl(propyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate
PubChem CID162041715
Molecular FormulaC176H204Cl2LiN36Na19O111S30
Molecular Weight6076.38 g/mol
Exact Mass6070.06
IUPAC Namelithium;nonadecasodium;2-[4-[[2-acetamido-4-[bis(2-oxidoperoxysulfanyloxyethyl)amino]-5-methoxyphenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-acetamido-4-[ethyl(2-oxidoperoxysulfinylethyl)amino]-5-methoxyphenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-acetamido-4-[2-isocyanoethyl(2-oxidoperoxysulfanyloxyethyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-acetamido-4-(2-oxidoperoxysulfanyloxyethylamino)phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-amino-4-[bis(2-oxidoperoxysulfanylethyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-amino-4-[2-isocyanoethyl(2-sulfooxyethyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[3-[[4-[bis(2-oxidoperoxysulfanyloxyethyl)amino]-2-chlorophenyl]diazenyl]-4-methoxyphenyl]sulfonylethyl sulfate;2-[4-[[2-chloro-4-[ethyl(2-oxidoperoxysulfanyloxyethyl)amino]-5-methoxyphenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[5-methoxy-2-nitro-4-[2-oxidoperoxysulfanyloxyethyl(propyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate
SMILESCC(=O)Nc1cc(NCCOSOO[O-])ccc1/N=N/c1ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc1.CCCN(CCOSOO[O-])c1cc([N+](=O)[O-])c(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc2)cc1OC.CCN(CCOSOO[O-])c1cc(Cl)c(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc2)cc1OC.CCN(CCS(=O)OO[O-])c1cc(NC(C)=O)c(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc2)cc1OC.COc1cc(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc2)c(NC(C)=O)cc1N(CCOSOO[O-])CCOSOO[O-].COc1ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc1/N=N/c1ccc(N(CCOSOO[O-])CCOSOO[O-])cc1Cl.Nc1cc(N(CCSOO[O-])CCSOO[O-])ccc1/N=N/c1ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc1.[C-]#[N+]CCN(CCOS(=O)(=O)O)c1ccc(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc2)c(N)c1.[C-]#[N+]CCN(CCOSOO[O-])c1ccc(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc2)c(NC(C)=O)c1.[Li+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C21H25N5O11S3.C21H28N4O16S4.C21H28N4O12S3.C20H26N4O13S3.C19H24ClN3O15S4.C19H24ClN3O11S3.C19H23N5O10S3.C18H24N4O12S4.C18H22N4O11S3.Li.19Na/c1-16(27)23-21-15-18(26(10-9-22-2)11-12-34-38-37-36-28)5-8-20(21)25-24-17-3-6-19(7-4-17)39(29,30)14-13-35-40(31,32)33;1-15(26)22-18-13-20(25(7-9-35-42-40-38-27)8-10-36-43-41-39-28)21(34-2)14-19(18)24-23-16-3-5-17(6-4-16)44(29,30)12-11-37-45(31,32)33;1-4-25(9-11-38(28)37-36-27)20-13-18(22-15(2)26)19(14-21(20)34-3)24-23-16-5-7-17(8-6-16)39(29,30)12-10-35-40(31,32)33;1-3-8-23(9-10-34-38-37-36-27)19-14-18(24(25)26)17(13-20(19)33-2)22-21-15-4-6-16(7-5-15)39(28,29)12-11-35-40(30,31)32;1-31-19-5-3-15(41(26,27)11-10-34-42(28,29)30)13-18(19)22-21-17-4-2-14(12-16(17)20)23(6-8-32-39-37-35-24)7-9-33-40-38-36-25;1-3-23(8-9-31-35-34-33-24)18-12-16(20)17(13-19(18)30-2)22-21-14-4-6-15(7-5-14)36(25,26)11-10-32-37(27,28)29;1-21-8-9-24(10-11-33-36(27,28)29)16-4-7-19(18(20)14-16)23-22-15-2-5-17(6-3-15)35(25,26)13-12-34-37(30,31)32;19-17-13-15(22(7-10-35-33-31-23)8-11-36-34-32-24)3-6-18(17)21-20-14-1-4-16(5-2-14)37(25,26)12-9-30-38(27,28)29;1-13(23)20-18-12-15(19-8-9-30-34-33-32-24)4-7-17(18)22-21-14-2-5-16(6-3-14)35(25,26)11-10-31-36(27,28)29;;;;;;;;;;;;;;;;;;;;/h3-8,15,28H,9-14H2,1H3,(H,23,27)(H,31,32,33);3-6,13-14,27-28H,7-12H2,1-2H3,(H,22,26)(H,31,32,33);5-8,13-14,27H,4,9-12H2,1-3H3,(H,22,26)(H,31,32,33);4-7,13-14,27H,3,8-12H2,1-2H3,(H,30,31,32);2-5,12-13,24-25H,6-11H2,1H3,(H,28,29,30);4-7,12-13,24H,3,8-11H2,1-2H3,(H,27,28,29);2-7,14H,8-13,20H2,(H,27,28,29)(H,30,31,32);1-6,13,23-24H,7-12,19H2,(H,27,28,29);2-7,12,19,24H,8-11H2,1H3,(H,20,23)(H,27,28,29);;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;20*+1/p-20/b25-24+;2*24-23+;3*22-21+;23-22+;21-20+;22-21+;;;;;;;;;;;;;;;;;;;;
InChIKeyYXJDSPKHENBAAI-WWIYISSOSA-A
XLogP-46.46
TPSA2043.24 Ų
H-Bond Donors8
H-Bond Acceptors149
Rotatable Bonds157
Heavy Atoms375
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006076.38
LogP ≤ 5-46.46
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 10149

Analyze lithium;nonadecasodium;2-[4-[[2-acetamido-4-[bis(2-oxidoperoxysulfanyloxyethyl)amino]-5-methoxyphenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-acetamido-4-[ethyl(2-oxidoperoxysulfinylethyl)amino]-5-methoxyphenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-acetamido-4-[2-isocyanoethyl(2-oxidoperoxysulfanyloxyethyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-acetamido-4-(2-oxidoperoxysulfanyloxyethylamino)phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-amino-4-[bis(2-oxidoperoxysulfanylethyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-amino-4-[2-isocyanoethyl(2-sulfooxyethyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[3-[[4-[bis(2-oxidoperoxysulfanyloxyethyl)amino]-2-chlorophenyl]diazenyl]-4-methoxyphenyl]sulfonylethyl sulfate;2-[4-[[2-chloro-4-[ethyl(2-oxidoperoxysulfanyloxyethyl)amino]-5-methoxyphenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[5-methoxy-2-nitro-4-[2-oxidoperoxysulfanyloxyethyl(propyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;nonadecasodium;2-[4-[[2-acetamido-4-[bis(2-oxidoperoxysulfanyloxyethyl)amino]-5-methoxyphenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-acetamido-4-[ethyl(2-oxidoperoxysulfinylethyl)amino]-5-methoxyphenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-acetamido-4-[2-isocyanoethyl(2-oxidoperoxysulfanyloxyethyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-acetamido-4-(2-oxidoperoxysulfanyloxyethylamino)phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-amino-4-[bis(2-oxidoperoxysulfanylethyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-amino-4-[2-isocyanoethyl(2-sulfooxyethyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[3-[[4-[bis(2-oxidoperoxysulfanyloxyethyl)amino]-2-chlorophenyl]diazenyl]-4-methoxyphenyl]sulfonylethyl sulfate;2-[4-[[2-chloro-4-[ethyl(2-oxidoperoxysulfanyloxyethyl)amino]-5-methoxyphenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[5-methoxy-2-nitro-4-[2-oxidoperoxysulfanyloxyethyl(propyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate?
The IUPAC name of lithium;nonadecasodium;2-[4-[[2-acetamido-4-[bis(2-oxidoperoxysulfanyloxyethyl)amino]-5-methoxyphenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-acetamido-4-[ethyl(2-oxidoperoxysulfinylethyl)amino]-5-methoxyphenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-acetamido-4-[2-isocyanoethyl(2-oxidoperoxysulfanyloxyethyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-acetamido-4-(2-oxidoperoxysulfanyloxyethylamino)phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-amino-4-[bis(2-oxidoperoxysulfanylethyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-amino-4-[2-isocyanoethyl(2-sulfooxyethyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[3-[[4-[bis(2-oxidoperoxysulfanyloxyethyl)amino]-2-chlorophenyl]diazenyl]-4-methoxyphenyl]sulfonylethyl sulfate;2-[4-[[2-chloro-4-[ethyl(2-oxidoperoxysulfanyloxyethyl)amino]-5-methoxyphenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[5-methoxy-2-nitro-4-[2-oxidoperoxysulfanyloxyethyl(propyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate (CID 162041715) is lithium;nonadecasodium;2-[4-[[2-acetamido-4-[bis(2-oxidoperoxysulfanyloxyethyl)amino]-5-methoxyphenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-acetamido-4-[ethyl(2-oxidoperoxysulfinylethyl)amino]-5-methoxyphenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-acetamido-4-[2-isocyanoethyl(2-oxidoperoxysulfanyloxyethyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-acetamido-4-(2-oxidoperoxysulfanyloxyethylamino)phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-amino-4-[bis(2-oxidoperoxysulfanylethyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-amino-4-[2-isocyanoethyl(2-sulfooxyethyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[3-[[4-[bis(2-oxidoperoxysulfanyloxyethyl)amino]-2-chlorophenyl]diazenyl]-4-methoxyphenyl]sulfonylethyl sulfate;2-[4-[[2-chloro-4-[ethyl(2-oxidoperoxysulfanyloxyethyl)amino]-5-methoxyphenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[5-methoxy-2-nitro-4-[2-oxidoperoxysulfanyloxyethyl(propyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate.
What is the SMILES notation for lithium;nonadecasodium;2-[4-[[2-acetamido-4-[bis(2-oxidoperoxysulfanyloxyethyl)amino]-5-methoxyphenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-acetamido-4-[ethyl(2-oxidoperoxysulfinylethyl)amino]-5-methoxyphenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-acetamido-4-[2-isocyanoethyl(2-oxidoperoxysulfanyloxyethyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-acetamido-4-(2-oxidoperoxysulfanyloxyethylamino)phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-amino-4-[bis(2-oxidoperoxysulfanylethyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-amino-4-[2-isocyanoethyl(2-sulfooxyethyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[3-[[4-[bis(2-oxidoperoxysulfanyloxyethyl)amino]-2-chlorophenyl]diazenyl]-4-methoxyphenyl]sulfonylethyl sulfate;2-[4-[[2-chloro-4-[ethyl(2-oxidoperoxysulfanyloxyethyl)amino]-5-methoxyphenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[5-methoxy-2-nitro-4-[2-oxidoperoxysulfanyloxyethyl(propyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate?
The canonical SMILES for lithium;nonadecasodium;2-[4-[[2-acetamido-4-[bis(2-oxidoperoxysulfanyloxyethyl)amino]-5-methoxyphenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-acetamido-4-[ethyl(2-oxidoperoxysulfinylethyl)amino]-5-methoxyphenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-acetamido-4-[2-isocyanoethyl(2-oxidoperoxysulfanyloxyethyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-acetamido-4-(2-oxidoperoxysulfanyloxyethylamino)phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-amino-4-[bis(2-oxidoperoxysulfanylethyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-amino-4-[2-isocyanoethyl(2-sulfooxyethyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[3-[[4-[bis(2-oxidoperoxysulfanyloxyethyl)amino]-2-chlorophenyl]diazenyl]-4-methoxyphenyl]sulfonylethyl sulfate;2-[4-[[2-chloro-4-[ethyl(2-oxidoperoxysulfanyloxyethyl)amino]-5-methoxyphenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[5-methoxy-2-nitro-4-[2-oxidoperoxysulfanyloxyethyl(propyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate is CC(=O)Nc1cc(NCCOSOO[O-])ccc1/N=N/c1ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc1.CCCN(CCOSOO[O-])c1cc([N+](=O)[O-])c(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc2)cc1OC.CCN(CCOSOO[O-])c1cc(Cl)c(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc2)cc1OC.CCN(CCS(=O)OO[O-])c1cc(NC(C)=O)c(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc2)cc1OC.COc1cc(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc2)c(NC(C)=O)cc1N(CCOSOO[O-])CCOSOO[O-].COc1ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc1/N=N/c1ccc(N(CCOSOO[O-])CCOSOO[O-])cc1Cl.Nc1cc(N(CCSOO[O-])CCSOO[O-])ccc1/N=N/c1ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc1.[C-]#[N+]CCN(CCOS(=O)(=O)O)c1ccc(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc2)c(N)c1.[C-]#[N+]CCN(CCOSOO[O-])c1ccc(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc2)c(NC(C)=O)c1.[Li+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of lithium;nonadecasodium;2-[4-[[2-acetamido-4-[bis(2-oxidoperoxysulfanyloxyethyl)amino]-5-methoxyphenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-acetamido-4-[ethyl(2-oxidoperoxysulfinylethyl)amino]-5-methoxyphenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-acetamido-4-[2-isocyanoethyl(2-oxidoperoxysulfanyloxyethyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-acetamido-4-(2-oxidoperoxysulfanyloxyethylamino)phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-amino-4-[bis(2-oxidoperoxysulfanylethyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-amino-4-[2-isocyanoethyl(2-sulfooxyethyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[3-[[4-[bis(2-oxidoperoxysulfanyloxyethyl)amino]-2-chlorophenyl]diazenyl]-4-methoxyphenyl]sulfonylethyl sulfate;2-[4-[[2-chloro-4-[ethyl(2-oxidoperoxysulfanyloxyethyl)amino]-5-methoxyphenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[5-methoxy-2-nitro-4-[2-oxidoperoxysulfanyloxyethyl(propyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate?
The InChIKey is YXJDSPKHENBAAI-WWIYISSOSA-A. The full InChI is InChI=1S/C21H25N5O11S3.C21H28N4O16S4.C21H28N4O12S3.C20H26N4O13S3.C19H24ClN3O15S4.C19H24ClN3O11S3.C19H23N5O10S3.C18H24N4O12S4.C18H22N4O11S3.Li.19Na/c1-16(27)23-21-15-18(26(10-9-22-2)11-12-34-38-37-36-28)5-8-20(21)25-24-17-3-6-19(7-4-17)39(29,30)14-13-35-40(31,32)33;1-15(26)22-18-13-20(25(7-9-35-42-40-38-27)8-10-36-43-41-39-28)21(34-2)14-19(18)24-23-16-3-5-17(6-4-16)44(29,30)12-11-37-45(31,32)33;1-4-25(9-11-38(28)37-36-27)20-13-18(22-15(2)26)19(14-21(20)34-3)24-23-16-5-7-17(8-6-16)39(29,30)12-10-35-40(31,32)33;1-3-8-23(9-10-34-38-37-36-27)19-14-18(24(25)26)17(13-20(19)33-2)22-21-15-4-6-16(7-5-15)39(28,29)12-11-35-40(30,31)32;1-31-19-5-3-15(41(26,27)11-10-34-42(28,29)30)13-18(19)22-21-17-4-2-14(12-16(17)20)23(6-8-32-39-37-35-24)7-9-33-40-38-36-25;1-3-23(8-9-31-35-34-33-24)18-12-16(20)17(13-19(18)30-2)22-21-14-4-6-15(7-5-14)36(25,26)11-10-32-37(27,28)29;1-21-8-9-24(10-11-33-36(27,28)29)16-4-7-19(18(20)14-16)23-22-15-2-5-17(6-3-15)35(25,26)13-12-34-37(30,31)32;19-17-13-15(22(7-10-35-33-31-23)8-11-36-34-32-24)3-6-18(17)21-20-14-1-4-16(5-2-14)37(25,26)12-9-30-38(27,28)29;1-13(23)20-18-12-15(19-8-9-30-34-33-32-24)4-7-17(18)22-21-14-2-5-16(6-3-14)35(25,26)11-10-31-36(27,28)29;;;;;;;;;;;;;;;;;;;;/h3-8,15,28H,9-14H2,1H3,(H,23,27)(H,31,32,33);3-6,13-14,27-28H,7-12H2,1-2H3,(H,22,26)(H,31,32,33);5-8,13-14,27H,4,9-12H2,1-3H3,(H,22,26)(H,31,32,33);4-7,13-14,27H,3,8-12H2,1-2H3,(H,30,31,32);2-5,12-13,24-25H,6-11H2,1H3,(H,28,29,30);4-7,12-13,24H,3,8-11H2,1-2H3,(H,27,28,29);2-7,14H,8-13,20H2,(H,27,28,29)(H,30,31,32);1-6,13,23-24H,7-12,19H2,(H,27,28,29);2-7,12,19,24H,8-11H2,1H3,(H,20,23)(H,27,28,29);;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;20*+1/p-20/b25-24+;2*24-23+;3*22-21+;23-22+;21-20+;22-21+;;;;;;;;;;;;;;;;;;;;.
What are the key properties of lithium;nonadecasodium;2-[4-[[2-acetamido-4-[bis(2-oxidoperoxysulfanyloxyethyl)amino]-5-methoxyphenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-acetamido-4-[ethyl(2-oxidoperoxysulfinylethyl)amino]-5-methoxyphenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-acetamido-4-[2-isocyanoethyl(2-oxidoperoxysulfanyloxyethyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-acetamido-4-(2-oxidoperoxysulfanyloxyethylamino)phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-amino-4-[bis(2-oxidoperoxysulfanylethyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-amino-4-[2-isocyanoethyl(2-sulfooxyethyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[3-[[4-[bis(2-oxidoperoxysulfanyloxyethyl)amino]-2-chlorophenyl]diazenyl]-4-methoxyphenyl]sulfonylethyl sulfate;2-[4-[[2-chloro-4-[ethyl(2-oxidoperoxysulfanyloxyethyl)amino]-5-methoxyphenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[5-methoxy-2-nitro-4-[2-oxidoperoxysulfanyloxyethyl(propyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate?
lithium;nonadecasodium;2-[4-[[2-acetamido-4-[bis(2-oxidoperoxysulfanyloxyethyl)amino]-5-methoxyphenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-acetamido-4-[ethyl(2-oxidoperoxysulfinylethyl)amino]-5-methoxyphenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-acetamido-4-[2-isocyanoethyl(2-oxidoperoxysulfanyloxyethyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-acetamido-4-(2-oxidoperoxysulfanyloxyethylamino)phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-amino-4-[bis(2-oxidoperoxysulfanylethyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-amino-4-[2-isocyanoethyl(2-sulfooxyethyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[3-[[4-[bis(2-oxidoperoxysulfanyloxyethyl)amino]-2-chlorophenyl]diazenyl]-4-methoxyphenyl]sulfonylethyl sulfate;2-[4-[[2-chloro-4-[ethyl(2-oxidoperoxysulfanyloxyethyl)amino]-5-methoxyphenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[5-methoxy-2-nitro-4-[2-oxidoperoxysulfanyloxyethyl(propyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate has a molecular weight of 6076.38 g/mol, XLogP of -46.46, 157 rotatable bonds, 8 hydrogen bond donors, and 149 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;nonadecasodium;2-[4-[[2-acetamido-4-[bis(2-oxidoperoxysulfanyloxyethyl)amino]-5-methoxyphenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-acetamido-4-[ethyl(2-oxidoperoxysulfinylethyl)amino]-5-methoxyphenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-acetamido-4-[2-isocyanoethyl(2-oxidoperoxysulfanyloxyethyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-acetamido-4-(2-oxidoperoxysulfanyloxyethylamino)phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-amino-4-[bis(2-oxidoperoxysulfanylethyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[2-amino-4-[2-isocyanoethyl(2-sulfooxyethyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[3-[[4-[bis(2-oxidoperoxysulfanyloxyethyl)amino]-2-chlorophenyl]diazenyl]-4-methoxyphenyl]sulfonylethyl sulfate;2-[4-[[2-chloro-4-[ethyl(2-oxidoperoxysulfanyloxyethyl)amino]-5-methoxyphenyl]diazenyl]phenyl]sulfonylethyl sulfate;2-[4-[[5-methoxy-2-nitro-4-[2-oxidoperoxysulfanyloxyethyl(propyl)amino]phenyl]diazenyl]phenyl]sulfonylethyl sulfate is sourced from PubChem (CID 162041715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).