nonasodium;4-amino-6-[(2,5-dimethoxy-4-methylphenyl)diazenyl]-3-[[2,5-dimethoxy-4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-5-hydroxy-7-oxidoperoxysulfanylnaphthalene-2-sulfonate;4-amino-5-hydroxy-6-[[2-methoxy-5-(2-oxidoperoxysulfinylethylsulfonyl)phenyl]diazenyl]-7-oxidoperoxysulfanyl-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate;6-[(4-ethenylphenyl)diazenyl]-4-[[2-[(4-ethenylsulfonylphenyl)diazenyl]-3-oxobutanoyl]amino]-5-hydroxy-7-oxidoperoxysulfanylnaphthalene-2-sulfonate

C86H74N15Na9O48S13 — CID 158817239

IUPACnonasodium;4-amino-6-[(2,5-dimethoxy-4-methylphenyl)diazenyl]-3-[[2,5-dimethoxy-4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-5-hydroxy-7-oxidoperoxysulfanylnaphthalene-2-sulfonate;4-amino-5-hydroxy-6-[[2-methoxy-5-(2-oxidoperoxysulfinylethylsulfonyl)phenyl]diazenyl]-7-oxidoperoxysulfanyl-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate;6-[(4-ethenylphenyl)diazenyl]-4-[[2-[(4-ethenylsulfonylphenyl)diazenyl]-3-oxobutanoyl]amino]-5-hydroxy-7-oxidoperoxysulfanylnaphthalene-2-sulfonate
SMILESC=Cc1ccc(/N=N/c2c(SOO[O-])cc3cc(S(=O)(=O)[O-])cc(NC(=O)C(/N=N/c4ccc(S(=O)(=O)C=C)cc4)C(C)=O)c3c2O)cc1.COc1cc(/N=N/c2c(SOO[O-])cc3cc(S(=O)(=O)[O-])c(/N=N/c4cc(OC)c(S(=O)(=O)CCOS(=O)(=O)[O-])cc4OC)c(N)c3c2O)c(OC)cc1C.COc1ccc(S(=O)(=O)CCS(=O)OO[O-])cc1/N=N/c1c(SOO[O-])cc2cc(S(=O)(=O)[O-])c(/N=N/c3ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc3)c(N)c2c1O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C30H25N5O11S3.C29H31N5O17S4.C27H27N5O20S6.9Na/c1-4-18-6-8-20(9-7-18)33-35-28-25(47-46-45-39)15-19-14-23(49(42,43)44)16-24(26(19)29(28)37)31-30(38)27(17(3)36)34-32-21-10-12-22(13-11-21)48(40,41)5-2;1-14-8-19(46-3)16(11-18(14)45-2)31-33-27-22(52-51-50-36)9-15-10-24(54(39,40)41)28(26(30)25(15)29(27)35)34-32-17-12-21(48-5)23(13-20(17)47-4)53(37,38)7-6-49-55(42,43)44;1-47-20-7-6-18(56(39,40)11-9-54(36)52-50-35)14-19(20)30-31-25-21(53-51-49-34)12-15-13-22(57(41,42)43)26(24(28)23(15)27(25)33)32-29-16-2-4-17(5-3-16)55(37,38)10-8-48-58(44,45)46;;;;;;;;;/h4-16,27,37,39H,1-2H2,3H3,(H,31,38)(H,42,43,44);8-13,35-36H,6-7,30H2,1-5H3,(H,39,40,41)(H,42,43,44);2-7,12-14,33-35H,8-11,28H2,1H3,(H,41,42,43)(H,44,45,46);;;;;;;;;/q;;;9*+1/p-9/b34-32+,35-33+;33-31+,34-32+;31-30+,32-29+;;;;;;;;;
InChIKeyIVKOAMYWOPWKCC-BLEIYXSLSA-E
MW2709.38 g/mol
LogP-16.93
Rot. Bonds51

About nonasodium;4-amino-6-[(2,5-dimethoxy-4-methylphenyl)diazenyl]-3-[[2,5-dimethoxy-4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-5-hydroxy-7-oxidoperoxysulfanylnaphthalene-2-sulfonate;4-amino-5-hydroxy-6-[[2-methoxy-5-(2-oxidoperoxysulfinylethylsulfonyl)phenyl]diazenyl]-7-oxidoperoxysulfanyl-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate;6-[(4-ethenylphenyl)diazenyl]-4-[[2-[(4-ethenylsulfonylphenyl)diazenyl]-3-oxobutanoyl]amino]-5-hydroxy-7-oxidoperoxysulfanylnaphthalene-2-sulfonate

nonasodium;4-amino-6-[(2,5-dimethoxy-4-methylphenyl)diazenyl]-3-[[2,5-dimethoxy-4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-5-hydroxy-7-oxidoperoxysulfanylnaphthalene-2-sulfonate;4-amino-5-hydroxy-6-[[2-methoxy-5-(2-oxidoperoxysulfinylethylsulfonyl)phenyl]diazenyl]-7-oxidoperoxysulfanyl-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate;6-[(4-ethenylphenyl)diazenyl]-4-[[2-[(4-ethenylsulfonylphenyl)diazenyl]-3-oxobutanoyl]amino]-5-hydroxy-7-oxidoperoxysulfanylnaphthalene-2-sulfonate (PubChem CID 158817239) has the molecular formula C86H74N15Na9O48S13 and a molecular weight of 2709.38 g/mol. Its IUPAC name is nonasodium;4-amino-6-[(2,5-dimethoxy-4-methylphenyl)diazenyl]-3-[[2,5-dimethoxy-4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-5-hydroxy-7-oxidoperoxysulfanylnaphthalene-2-sulfonate;4-amino-5-hydroxy-6-[[2-methoxy-5-(2-oxidoperoxysulfinylethylsulfonyl)phenyl]diazenyl]-7-oxidoperoxysulfanyl-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate;6-[(4-ethenylphenyl)diazenyl]-4-[[2-[(4-ethenylsulfonylphenyl)diazenyl]-3-oxobutanoyl]amino]-5-hydroxy-7-oxidoperoxysulfanylnaphthalene-2-sulfonate.

Molecular Properties

Compound Namenonasodium;4-amino-6-[(2,5-dimethoxy-4-methylphenyl)diazenyl]-3-[[2,5-dimethoxy-4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-5-hydroxy-7-oxidoperoxysulfanylnaphthalene-2-sulfonate;4-amino-5-hydroxy-6-[[2-methoxy-5-(2-oxidoperoxysulfinylethylsulfonyl)phenyl]diazenyl]-7-oxidoperoxysulfanyl-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate;6-[(4-ethenylphenyl)diazenyl]-4-[[2-[(4-ethenylsulfonylphenyl)diazenyl]-3-oxobutanoyl]amino]-5-hydroxy-7-oxidoperoxysulfanylnaphthalene-2-sulfonate
PubChem CID158817239
Molecular FormulaC86H74N15Na9O48S13
Molecular Weight2709.38 g/mol
Exact Mass2706.93
IUPAC Namenonasodium;4-amino-6-[(2,5-dimethoxy-4-methylphenyl)diazenyl]-3-[[2,5-dimethoxy-4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-5-hydroxy-7-oxidoperoxysulfanylnaphthalene-2-sulfonate;4-amino-5-hydroxy-6-[[2-methoxy-5-(2-oxidoperoxysulfinylethylsulfonyl)phenyl]diazenyl]-7-oxidoperoxysulfanyl-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate;6-[(4-ethenylphenyl)diazenyl]-4-[[2-[(4-ethenylsulfonylphenyl)diazenyl]-3-oxobutanoyl]amino]-5-hydroxy-7-oxidoperoxysulfanylnaphthalene-2-sulfonate
SMILESC=Cc1ccc(/N=N/c2c(SOO[O-])cc3cc(S(=O)(=O)[O-])cc(NC(=O)C(/N=N/c4ccc(S(=O)(=O)C=C)cc4)C(C)=O)c3c2O)cc1.COc1cc(/N=N/c2c(SOO[O-])cc3cc(S(=O)(=O)[O-])c(/N=N/c4cc(OC)c(S(=O)(=O)CCOS(=O)(=O)[O-])cc4OC)c(N)c3c2O)c(OC)cc1C.COc1ccc(S(=O)(=O)CCS(=O)OO[O-])cc1/N=N/c1c(SOO[O-])cc2cc(S(=O)(=O)[O-])c(/N=N/c3ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc3)c(N)c2c1O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C30H25N5O11S3.C29H31N5O17S4.C27H27N5O20S6.9Na/c1-4-18-6-8-20(9-7-18)33-35-28-25(47-46-45-39)15-19-14-23(49(42,43)44)16-24(26(19)29(28)37)31-30(38)27(17(3)36)34-32-21-10-12-22(13-11-21)48(40,41)5-2;1-14-8-19(46-3)16(11-18(14)45-2)31-33-27-22(52-51-50-36)9-15-10-24(54(39,40)41)28(26(30)25(15)29(27)35)34-32-17-12-21(48-5)23(13-20(17)47-4)53(37,38)7-6-49-55(42,43)44;1-47-20-7-6-18(56(39,40)11-9-54(36)52-50-35)14-19(20)30-31-25-21(53-51-49-34)12-15-13-22(57(41,42)43)26(24(28)23(15)27(25)33)32-29-16-2-4-17(5-3-16)55(37,38)10-8-48-58(44,45)46;;;;;;;;;/h4-16,27,37,39H,1-2H2,3H3,(H,31,38)(H,42,43,44);8-13,35-36H,6-7,30H2,1-5H3,(H,39,40,41)(H,42,43,44);2-7,12-14,33-35H,8-11,28H2,1H3,(H,41,42,43)(H,44,45,46);;;;;;;;;/q;;;9*+1/p-9/b34-32+,35-33+;33-31+,34-32+;31-30+,32-29+;;;;;;;;;
InChIKeyIVKOAMYWOPWKCC-BLEIYXSLSA-E
XLogP-16.93
TPSA977.54 Ų
H-Bond Donors6
H-Bond Acceptors65
Rotatable Bonds51
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002709.38
LogP ≤ 5-16.93
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1065

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze nonasodium;4-amino-6-[(2,5-dimethoxy-4-methylphenyl)diazenyl]-3-[[2,5-dimethoxy-4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-5-hydroxy-7-oxidoperoxysulfanylnaphthalene-2-sulfonate;4-amino-5-hydroxy-6-[[2-methoxy-5-(2-oxidoperoxysulfinylethylsulfonyl)phenyl]diazenyl]-7-oxidoperoxysulfanyl-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate;6-[(4-ethenylphenyl)diazenyl]-4-[[2-[(4-ethenylsulfonylphenyl)diazenyl]-3-oxobutanoyl]amino]-5-hydroxy-7-oxidoperoxysulfanylnaphthalene-2-sulfonate with MolForge

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Related Compounds

4-amino-6-[(2,5-dimethoxy-4-methylphenyl)diazenyl]-5-hydroxy-3-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid
CID 135978947
trisodium;5-acetamido-4-hydroxy-3-[[4-methoxy-3-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonate
CID 135755609
undecasodium;4-amino-5-hydroxy-6-[[2-methoxy-5-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]-7-oxidoperoxysulfanyl-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate;2,4-diamino-3-[[2-methoxy-5-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-5-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]benzenesulfonate;[[5-hydroxy-6-[[2-methoxy-5-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]-7-oxidoperoxysulfanyl-1-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]naphthalen-2-yl]amino]methanesulfonate
CID 159456380
nonalithium;4-amino-6-[[5-[(2,6-difluoropyrimidin-4-yl)amino]-2-sulfonatophenyl]diazenyl]-5-hydroxy-7-oxidoperoxysulfanyl-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate;2-[[2-[[5-[(2,6-difluoropyrimidin-4-yl)amino]-2-sulfonatophenyl]diazenyl]-3-oxobutanoyl]amino]-5-hydroxy-7-oxidoperoxysulfanyl-6-[(5-oxidoperoxysulfanyl-1-sulfonatonaphthalen-2-yl)diazenyl]naphthalene-1-sulfonate
CID 160812524
trisodium;4-amino-5-hydroxy-7-oxidoperoxysulfanyl-3,6-bis(phenyldiazenyl)naphthalene-2-sulfonate;ethane;2-methylsulfonylethyl sulfate
CID 161409133
tetrasodium;4-amino-5-hydroxy-6-[[2-methoxy-5-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]-3-[[2-methoxy-5-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-7-oxidoperoxysulfanylnaphthalene-1-sulfonate;methane
CID 160782154
trisodium;4-amino-5-hydroxy-7-methylsulfonyl-3-[[4-(2-methylsulfonyloxyethylsulfonyl)phenyl]diazenyl]-6-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate
CID 161286527
decasodium;5-acetamido-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethoxyphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate;tris(5-acetamido-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2-methoxy-5-methylphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate);5-acetamido-4-hydroxy-3-[[2-methoxy-5-methyl-4-[[4-[(4-methylphenyl)methylsulfonyl]phenyl]diazenyl]phenyl]diazenyl]naphthalene-2,7-disulfonate
CID 159562055
5-amino-4-hydroxy-3-[[2-methoxy-5-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-6-[[3-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonic acid
CID 137129777
4-amino-5-hydroxy-6-[[2-methoxy-5-(2-sulfoperoxyethynylsulfanyl)phenyl]diazenyl]-3-[[4-[2-(methylamino)ethylsulfonyl]phenyl]diazenyl]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid;hydrate
CID 158952296
tetrasodium;4-amino-5-hydroxy-3,6-bis[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonate
CID 135571104
5-acetamido-3-[[5-[2-(diethylamino)ethylsulfonyl]-2-methoxyphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid
CID 135730778

Frequently Asked Questions

What is the IUPAC name of nonasodium;4-amino-6-[(2,5-dimethoxy-4-methylphenyl)diazenyl]-3-[[2,5-dimethoxy-4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-5-hydroxy-7-oxidoperoxysulfanylnaphthalene-2-sulfonate;4-amino-5-hydroxy-6-[[2-methoxy-5-(2-oxidoperoxysulfinylethylsulfonyl)phenyl]diazenyl]-7-oxidoperoxysulfanyl-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate;6-[(4-ethenylphenyl)diazenyl]-4-[[2-[(4-ethenylsulfonylphenyl)diazenyl]-3-oxobutanoyl]amino]-5-hydroxy-7-oxidoperoxysulfanylnaphthalene-2-sulfonate?
The IUPAC name of nonasodium;4-amino-6-[(2,5-dimethoxy-4-methylphenyl)diazenyl]-3-[[2,5-dimethoxy-4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-5-hydroxy-7-oxidoperoxysulfanylnaphthalene-2-sulfonate;4-amino-5-hydroxy-6-[[2-methoxy-5-(2-oxidoperoxysulfinylethylsulfonyl)phenyl]diazenyl]-7-oxidoperoxysulfanyl-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate;6-[(4-ethenylphenyl)diazenyl]-4-[[2-[(4-ethenylsulfonylphenyl)diazenyl]-3-oxobutanoyl]amino]-5-hydroxy-7-oxidoperoxysulfanylnaphthalene-2-sulfonate (CID 158817239) is nonasodium;4-amino-6-[(2,5-dimethoxy-4-methylphenyl)diazenyl]-3-[[2,5-dimethoxy-4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-5-hydroxy-7-oxidoperoxysulfanylnaphthalene-2-sulfonate;4-amino-5-hydroxy-6-[[2-methoxy-5-(2-oxidoperoxysulfinylethylsulfonyl)phenyl]diazenyl]-7-oxidoperoxysulfanyl-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate;6-[(4-ethenylphenyl)diazenyl]-4-[[2-[(4-ethenylsulfonylphenyl)diazenyl]-3-oxobutanoyl]amino]-5-hydroxy-7-oxidoperoxysulfanylnaphthalene-2-sulfonate.
What is the SMILES notation for nonasodium;4-amino-6-[(2,5-dimethoxy-4-methylphenyl)diazenyl]-3-[[2,5-dimethoxy-4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-5-hydroxy-7-oxidoperoxysulfanylnaphthalene-2-sulfonate;4-amino-5-hydroxy-6-[[2-methoxy-5-(2-oxidoperoxysulfinylethylsulfonyl)phenyl]diazenyl]-7-oxidoperoxysulfanyl-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate;6-[(4-ethenylphenyl)diazenyl]-4-[[2-[(4-ethenylsulfonylphenyl)diazenyl]-3-oxobutanoyl]amino]-5-hydroxy-7-oxidoperoxysulfanylnaphthalene-2-sulfonate?
The canonical SMILES for nonasodium;4-amino-6-[(2,5-dimethoxy-4-methylphenyl)diazenyl]-3-[[2,5-dimethoxy-4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-5-hydroxy-7-oxidoperoxysulfanylnaphthalene-2-sulfonate;4-amino-5-hydroxy-6-[[2-methoxy-5-(2-oxidoperoxysulfinylethylsulfonyl)phenyl]diazenyl]-7-oxidoperoxysulfanyl-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate;6-[(4-ethenylphenyl)diazenyl]-4-[[2-[(4-ethenylsulfonylphenyl)diazenyl]-3-oxobutanoyl]amino]-5-hydroxy-7-oxidoperoxysulfanylnaphthalene-2-sulfonate is C=Cc1ccc(/N=N/c2c(SOO[O-])cc3cc(S(=O)(=O)[O-])cc(NC(=O)C(/N=N/c4ccc(S(=O)(=O)C=C)cc4)C(C)=O)c3c2O)cc1.COc1cc(/N=N/c2c(SOO[O-])cc3cc(S(=O)(=O)[O-])c(/N=N/c4cc(OC)c(S(=O)(=O)CCOS(=O)(=O)[O-])cc4OC)c(N)c3c2O)c(OC)cc1C.COc1ccc(S(=O)(=O)CCS(=O)OO[O-])cc1/N=N/c1c(SOO[O-])cc2cc(S(=O)(=O)[O-])c(/N=N/c3ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc3)c(N)c2c1O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of nonasodium;4-amino-6-[(2,5-dimethoxy-4-methylphenyl)diazenyl]-3-[[2,5-dimethoxy-4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-5-hydroxy-7-oxidoperoxysulfanylnaphthalene-2-sulfonate;4-amino-5-hydroxy-6-[[2-methoxy-5-(2-oxidoperoxysulfinylethylsulfonyl)phenyl]diazenyl]-7-oxidoperoxysulfanyl-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate;6-[(4-ethenylphenyl)diazenyl]-4-[[2-[(4-ethenylsulfonylphenyl)diazenyl]-3-oxobutanoyl]amino]-5-hydroxy-7-oxidoperoxysulfanylnaphthalene-2-sulfonate?
The InChIKey is IVKOAMYWOPWKCC-BLEIYXSLSA-E. The full InChI is InChI=1S/C30H25N5O11S3.C29H31N5O17S4.C27H27N5O20S6.9Na/c1-4-18-6-8-20(9-7-18)33-35-28-25(47-46-45-39)15-19-14-23(49(42,43)44)16-24(26(19)29(28)37)31-30(38)27(17(3)36)34-32-21-10-12-22(13-11-21)48(40,41)5-2;1-14-8-19(46-3)16(11-18(14)45-2)31-33-27-22(52-51-50-36)9-15-10-24(54(39,40)41)28(26(30)25(15)29(27)35)34-32-17-12-21(48-5)23(13-20(17)47-4)53(37,38)7-6-49-55(42,43)44;1-47-20-7-6-18(56(39,40)11-9-54(36)52-50-35)14-19(20)30-31-25-21(53-51-49-34)12-15-13-22(57(41,42)43)26(24(28)23(15)27(25)33)32-29-16-2-4-17(5-3-16)55(37,38)10-8-48-58(44,45)46;;;;;;;;;/h4-16,27,37,39H,1-2H2,3H3,(H,31,38)(H,42,43,44);8-13,35-36H,6-7,30H2,1-5H3,(H,39,40,41)(H,42,43,44);2-7,12-14,33-35H,8-11,28H2,1H3,(H,41,42,43)(H,44,45,46);;;;;;;;;/q;;;9*+1/p-9/b34-32+,35-33+;33-31+,34-32+;31-30+,32-29+;;;;;;;;;.
What are the key properties of nonasodium;4-amino-6-[(2,5-dimethoxy-4-methylphenyl)diazenyl]-3-[[2,5-dimethoxy-4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-5-hydroxy-7-oxidoperoxysulfanylnaphthalene-2-sulfonate;4-amino-5-hydroxy-6-[[2-methoxy-5-(2-oxidoperoxysulfinylethylsulfonyl)phenyl]diazenyl]-7-oxidoperoxysulfanyl-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate;6-[(4-ethenylphenyl)diazenyl]-4-[[2-[(4-ethenylsulfonylphenyl)diazenyl]-3-oxobutanoyl]amino]-5-hydroxy-7-oxidoperoxysulfanylnaphthalene-2-sulfonate?
nonasodium;4-amino-6-[(2,5-dimethoxy-4-methylphenyl)diazenyl]-3-[[2,5-dimethoxy-4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-5-hydroxy-7-oxidoperoxysulfanylnaphthalene-2-sulfonate;4-amino-5-hydroxy-6-[[2-methoxy-5-(2-oxidoperoxysulfinylethylsulfonyl)phenyl]diazenyl]-7-oxidoperoxysulfanyl-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate;6-[(4-ethenylphenyl)diazenyl]-4-[[2-[(4-ethenylsulfonylphenyl)diazenyl]-3-oxobutanoyl]amino]-5-hydroxy-7-oxidoperoxysulfanylnaphthalene-2-sulfonate has a molecular weight of 2709.38 g/mol, XLogP of -16.93, 51 rotatable bonds, 6 hydrogen bond donors, and 65 hydrogen bond acceptors.
Where does this data come from?
All data for nonasodium;4-amino-6-[(2,5-dimethoxy-4-methylphenyl)diazenyl]-3-[[2,5-dimethoxy-4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-5-hydroxy-7-oxidoperoxysulfanylnaphthalene-2-sulfonate;4-amino-5-hydroxy-6-[[2-methoxy-5-(2-oxidoperoxysulfinylethylsulfonyl)phenyl]diazenyl]-7-oxidoperoxysulfanyl-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate;6-[(4-ethenylphenyl)diazenyl]-4-[[2-[(4-ethenylsulfonylphenyl)diazenyl]-3-oxobutanoyl]amino]-5-hydroxy-7-oxidoperoxysulfanylnaphthalene-2-sulfonate is sourced from PubChem (CID 158817239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).