dodecasodium;4-amino-N-(5-hydroxy-6-methyl-7-oxidoperoxysulfanylnaphthalen-2-yl)benzamide;4-amino-N-methylbenzamide;4-hydroxy-N-methylbenzamide;tris(4-[[4-[[4-[(1-hydroxy-6-methyl-3-oxidoperoxysulfanylnaphthalen-2-yl)diazenyl]-2-methylphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-N-(4-oxidoperoxysulfanylphenyl)benzamide);6-[(4-hydroxyphenyl)diazenyl]-2-methyl-3-oxidoperoxysulfanylnaphthalen-1-ol;4-(methyldiazenyl)phenol;bis(7-[[4-[[2-methyl-4-[[2-methyl-4-(methyldiazenyl)phenyl]diazenyl]phenyl]diazenyl]benzoyl]amino]-3-oxidoperoxysulfanylnaphthalene-1-sulfonate)

C239H198N44Na12O52S12 — CID 158388924

IUPACdodecasodium;4-amino-N-(5-hydroxy-6-methyl-7-oxidoperoxysulfanylnaphthalen-2-yl)benzamide;4-amino-N-methylbenzamide;4-hydroxy-N-methylbenzamide;tris(4-[[4-[[4-[(1-hydroxy-6-methyl-3-oxidoperoxysulfanylnaphthalen-2-yl)diazenyl]-2-methylphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-N-(4-oxidoperoxysulfanylphenyl)benzamide);6-[(4-hydroxyphenyl)diazenyl]-2-methyl-3-oxidoperoxysulfanylnaphthalen-1-ol;4-(methyldiazenyl)phenol;bis(7-[[4-[[2-methyl-4-[[2-methyl-4-(methyldiazenyl)phenyl]diazenyl]phenyl]diazenyl]benzoyl]amino]-3-oxidoperoxysulfanylnaphthalene-1-sulfonate)
SMILESC/N=N/c1ccc(/N=N/c2ccc(/N=N/c3ccc(C(=O)Nc4ccc5cc(SOO[O-])cc(S(=O)(=O)[O-])c5c4)cc3)c(C)c2)c(C)c1.C/N=N/c1ccc(/N=N/c2ccc(/N=N/c3ccc(C(=O)Nc4ccc5cc(SOO[O-])cc(S(=O)(=O)[O-])c5c4)cc3)c(C)c2)c(C)c1.C/N=N/c1ccc(O)cc1.CNC(=O)c1ccc(N)cc1.CNC(=O)c1ccc(O)cc1.Cc1c(SOO[O-])cc2cc(/N=N/c3ccc(O)cc3)ccc2c1O.Cc1c(SOO[O-])cc2cc(NC(=O)c3ccc(N)cc3)ccc2c1O.Cc1ccc2c(O)c(/N=N/c3ccc(/N=N/c4cc(C)c(/N=N/c5ccc(C(=O)Nc6ccc(SOO[O-])cc6)cc5)cc4C)c(C)c3)c(SOO[O-])cc2c1.Cc1ccc2c(O)c(/N=N/c3ccc(/N=N/c4cc(C)c(/N=N/c5ccc(C(=O)Nc6ccc(SOO[O-])cc6)cc5)cc4C)c(C)c3)c(SOO[O-])cc2c1.Cc1ccc2c(O)c(/N=N/c3ccc(/N=N/c4cc(C)c(/N=N/c5ccc(C(=O)Nc6ccc(SOO[O-])cc6)cc5)cc4C)c(C)c3)c(SOO[O-])cc2c1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/3C39H33N7O8S2.2C32H27N7O7S2.C18H16N2O5S.C17H14N2O5S.C8H10N2O.C8H9NO2.C7H8N2O.12Na/c3*1-22-5-15-32-27(17-22)21-36(56-54-52-50)37(38(32)47)46-42-30-12-16-33(23(2)18-30)43-45-35-20-24(3)34(19-25(35)4)44-41-29-8-6-26(7-9-29)39(48)40-28-10-13-31(14-11-28)55-53-51-49;2*1-19-14-25(35-33-3)10-12-30(19)39-37-26-11-13-29(20(2)15-26)38-36-23-7-4-21(5-8-23)32(40)34-24-9-6-22-16-27(47-46-45-41)18-31(28(22)17-24)48(42,43)44;1-10-16(26-25-24-23)9-12-8-14(6-7-15(12)17(10)21)20-18(22)11-2-4-13(19)5-3-11;1-10-16(25-24-23-22)9-11-8-13(4-7-15(11)17(10)21)19-18-12-2-5-14(20)6-3-12;1-10-8(11)6-2-4-7(9)5-3-6;1-9-8(11)6-2-4-7(10)5-3-6;1-8-9-6-2-4-7(10)5-3-6;;;;;;;;;;;;/h3*5-21,47,49-50H,1-4H3,(H,40,48);2*4-18,41H,1-3H3,(H,34,40)(H,42,43,44);2-9,21,23H,19H2,1H3,(H,20,22);2-9,20-22H,1H3;2-5H,9H2,1H3,(H,10,11);2-5,10H,1H3,(H,9,11);2-5,10H,1H3;;;;;;;;;;;;/q;;;;;;;;;;12*+1/p-12/b3*44-41+,45-43+,46-42+;2*35-33+,38-36+,39-37+;;19-18+;;;9-8+;;;;;;;;;;;;
InChIKeyGWRXHPYJIZWSLW-HSVJRSGNSA-B
MW5179.15 g/mol
LogP23.65
Rot. Bonds77

About dodecasodium;4-amino-N-(5-hydroxy-6-methyl-7-oxidoperoxysulfanylnaphthalen-2-yl)benzamide;4-amino-N-methylbenzamide;4-hydroxy-N-methylbenzamide;tris(4-[[4-[[4-[(1-hydroxy-6-methyl-3-oxidoperoxysulfanylnaphthalen-2-yl)diazenyl]-2-methylphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-N-(4-oxidoperoxysulfanylphenyl)benzamide);6-[(4-hydroxyphenyl)diazenyl]-2-methyl-3-oxidoperoxysulfanylnaphthalen-1-ol;4-(methyldiazenyl)phenol;bis(7-[[4-[[2-methyl-4-[[2-methyl-4-(methyldiazenyl)phenyl]diazenyl]phenyl]diazenyl]benzoyl]amino]-3-oxidoperoxysulfanylnaphthalene-1-sulfonate)

dodecasodium;4-amino-N-(5-hydroxy-6-methyl-7-oxidoperoxysulfanylnaphthalen-2-yl)benzamide;4-amino-N-methylbenzamide;4-hydroxy-N-methylbenzamide;tris(4-[[4-[[4-[(1-hydroxy-6-methyl-3-oxidoperoxysulfanylnaphthalen-2-yl)diazenyl]-2-methylphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-N-(4-oxidoperoxysulfanylphenyl)benzamide);6-[(4-hydroxyphenyl)diazenyl]-2-methyl-3-oxidoperoxysulfanylnaphthalen-1-ol;4-(methyldiazenyl)phenol;bis(7-[[4-[[2-methyl-4-[[2-methyl-4-(methyldiazenyl)phenyl]diazenyl]phenyl]diazenyl]benzoyl]amino]-3-oxidoperoxysulfanylnaphthalene-1-sulfonate) (PubChem CID 158388924) has the molecular formula C239H198N44Na12O52S12 and a molecular weight of 5179.15 g/mol. Its IUPAC name is dodecasodium;4-amino-N-(5-hydroxy-6-methyl-7-oxidoperoxysulfanylnaphthalen-2-yl)benzamide;4-amino-N-methylbenzamide;4-hydroxy-N-methylbenzamide;tris(4-[[4-[[4-[(1-hydroxy-6-methyl-3-oxidoperoxysulfanylnaphthalen-2-yl)diazenyl]-2-methylphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-N-(4-oxidoperoxysulfanylphenyl)benzamide);6-[(4-hydroxyphenyl)diazenyl]-2-methyl-3-oxidoperoxysulfanylnaphthalen-1-ol;4-(methyldiazenyl)phenol;bis(7-[[4-[[2-methyl-4-[[2-methyl-4-(methyldiazenyl)phenyl]diazenyl]phenyl]diazenyl]benzoyl]amino]-3-oxidoperoxysulfanylnaphthalene-1-sulfonate).

Molecular Properties

Compound Namedodecasodium;4-amino-N-(5-hydroxy-6-methyl-7-oxidoperoxysulfanylnaphthalen-2-yl)benzamide;4-amino-N-methylbenzamide;4-hydroxy-N-methylbenzamide;tris(4-[[4-[[4-[(1-hydroxy-6-methyl-3-oxidoperoxysulfanylnaphthalen-2-yl)diazenyl]-2-methylphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-N-(4-oxidoperoxysulfanylphenyl)benzamide);6-[(4-hydroxyphenyl)diazenyl]-2-methyl-3-oxidoperoxysulfanylnaphthalen-1-ol;4-(methyldiazenyl)phenol;bis(7-[[4-[[2-methyl-4-[[2-methyl-4-(methyldiazenyl)phenyl]diazenyl]phenyl]diazenyl]benzoyl]amino]-3-oxidoperoxysulfanylnaphthalene-1-sulfonate)
PubChem CID158388924
Molecular FormulaC239H198N44Na12O52S12
Molecular Weight5179.15 g/mol
Exact Mass5174.96
IUPAC Namedodecasodium;4-amino-N-(5-hydroxy-6-methyl-7-oxidoperoxysulfanylnaphthalen-2-yl)benzamide;4-amino-N-methylbenzamide;4-hydroxy-N-methylbenzamide;tris(4-[[4-[[4-[(1-hydroxy-6-methyl-3-oxidoperoxysulfanylnaphthalen-2-yl)diazenyl]-2-methylphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-N-(4-oxidoperoxysulfanylphenyl)benzamide);6-[(4-hydroxyphenyl)diazenyl]-2-methyl-3-oxidoperoxysulfanylnaphthalen-1-ol;4-(methyldiazenyl)phenol;bis(7-[[4-[[2-methyl-4-[[2-methyl-4-(methyldiazenyl)phenyl]diazenyl]phenyl]diazenyl]benzoyl]amino]-3-oxidoperoxysulfanylnaphthalene-1-sulfonate)
SMILESC/N=N/c1ccc(/N=N/c2ccc(/N=N/c3ccc(C(=O)Nc4ccc5cc(SOO[O-])cc(S(=O)(=O)[O-])c5c4)cc3)c(C)c2)c(C)c1.C/N=N/c1ccc(/N=N/c2ccc(/N=N/c3ccc(C(=O)Nc4ccc5cc(SOO[O-])cc(S(=O)(=O)[O-])c5c4)cc3)c(C)c2)c(C)c1.C/N=N/c1ccc(O)cc1.CNC(=O)c1ccc(N)cc1.CNC(=O)c1ccc(O)cc1.Cc1c(SOO[O-])cc2cc(/N=N/c3ccc(O)cc3)ccc2c1O.Cc1c(SOO[O-])cc2cc(NC(=O)c3ccc(N)cc3)ccc2c1O.Cc1ccc2c(O)c(/N=N/c3ccc(/N=N/c4cc(C)c(/N=N/c5ccc(C(=O)Nc6ccc(SOO[O-])cc6)cc5)cc4C)c(C)c3)c(SOO[O-])cc2c1.Cc1ccc2c(O)c(/N=N/c3ccc(/N=N/c4cc(C)c(/N=N/c5ccc(C(=O)Nc6ccc(SOO[O-])cc6)cc5)cc4C)c(C)c3)c(SOO[O-])cc2c1.Cc1ccc2c(O)c(/N=N/c3ccc(/N=N/c4cc(C)c(/N=N/c5ccc(C(=O)Nc6ccc(SOO[O-])cc6)cc5)cc4C)c(C)c3)c(SOO[O-])cc2c1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/3C39H33N7O8S2.2C32H27N7O7S2.C18H16N2O5S.C17H14N2O5S.C8H10N2O.C8H9NO2.C7H8N2O.12Na/c3*1-22-5-15-32-27(17-22)21-36(56-54-52-50)37(38(32)47)46-42-30-12-16-33(23(2)18-30)43-45-35-20-24(3)34(19-25(35)4)44-41-29-8-6-26(7-9-29)39(48)40-28-10-13-31(14-11-28)55-53-51-49;2*1-19-14-25(35-33-3)10-12-30(19)39-37-26-11-13-29(20(2)15-26)38-36-23-7-4-21(5-8-23)32(40)34-24-9-6-22-16-27(47-46-45-41)18-31(28(22)17-24)48(42,43)44;1-10-16(26-25-24-23)9-12-8-14(6-7-15(12)17(10)21)20-18(22)11-2-4-13(19)5-3-11;1-10-16(25-24-23-22)9-11-8-13(4-7-15(11)17(10)21)19-18-12-2-5-14(20)6-3-12;1-10-8(11)6-2-4-7(9)5-3-6;1-9-8(11)6-2-4-7(10)5-3-6;1-8-9-6-2-4-7(10)5-3-6;;;;;;;;;;;;/h3*5-21,47,49-50H,1-4H3,(H,40,48);2*4-18,41H,1-3H3,(H,34,40)(H,42,43,44);2-9,21,23H,19H2,1H3,(H,20,22);2-9,20-22H,1H3;2-5H,9H2,1H3,(H,10,11);2-5,10H,1H3,(H,9,11);2-5,10H,1H3;;;;;;;;;;;;/q;;;;;;;;;;12*+1/p-12/b3*44-41+,45-43+,46-42+;2*35-33+,38-36+,39-37+;;19-18+;;;9-8+;;;;;;;;;;;;
InChIKeyGWRXHPYJIZWSLW-HSVJRSGNSA-B
XLogP23.65
TPSA1396.52 Ų
H-Bond Donors18
H-Bond Acceptors98
Rotatable Bonds77
Heavy Atoms359
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005179.15
LogP ≤ 523.65
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1098

Analyze dodecasodium;4-amino-N-(5-hydroxy-6-methyl-7-oxidoperoxysulfanylnaphthalen-2-yl)benzamide;4-amino-N-methylbenzamide;4-hydroxy-N-methylbenzamide;tris(4-[[4-[[4-[(1-hydroxy-6-methyl-3-oxidoperoxysulfanylnaphthalen-2-yl)diazenyl]-2-methylphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-N-(4-oxidoperoxysulfanylphenyl)benzamide);6-[(4-hydroxyphenyl)diazenyl]-2-methyl-3-oxidoperoxysulfanylnaphthalen-1-ol;4-(methyldiazenyl)phenol;bis(7-[[4-[[2-methyl-4-[[2-methyl-4-(methyldiazenyl)phenyl]diazenyl]phenyl]diazenyl]benzoyl]amino]-3-oxidoperoxysulfanylnaphthalene-1-sulfonate) with MolForge

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Related Compounds

disodium;7-[[4-[(4-amino-2-methylphenyl)diazenyl]benzoyl]amino]-3-oxidoperoxysulfanylnaphthalene-1-sulfonate
CID 21343292
trisodium;6-[(4-aminophenoxy)methylamino]-2-[(2-methoxy-4,5-dimethylphenyl)diazenyl]-3-oxidoperoxysulfanylnaphthalen-1-ol;7-[[2-methyl-4-(methyldiazenyl)phenyl]diazenyl]-3-oxidoperoxysulfanylnaphthalene-1-sulfonate
CID 161141509
nonadecasodium;6-[(4-amino-3-methoxyphenyl)diazenyl]-2-[[3-methyl-4-[[4-[(2-methyl-4-oxidoperoxysulfanylphenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-3-oxidoperoxysulfanylnaphthalen-1-ol;6-[(4-aminophenyl)diazenyl]-2-[[2,5-dimethyl-4-[[4-[(4-oxidoperoxysulfanylphenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-3-oxidoperoxysulfanylnaphthalen-1-ol;6-[(4-aminophenyl)diazenyl]-3-oxidoperoxysulfanyl-2-[[4-[[4-[(4-oxidoperoxysulfanylphenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]naphthalen-1-ol;5-[[6-[[2,5-dimethyl-4-[[4-[(6-oxidoperoxysulfanyl-4,8-disulfonatonaphthalen-2-yl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-5-hydroxy-7-oxidoperoxysulfanylnaphthalen-2-yl]diazenyl]-2-hydroxybenzoate;2-[[2,5-dimethyl-4-[[4-[(4-oxidoperoxysulfanylphenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-6-[(4-hydroxyphenyl)diazenyl]-3-oxidoperoxysulfanylnaphthalen-1-ol;7-[[4-[[4-[[1-hydroxy-6-[(4-hydroxyphenyl)diazenyl]-3-oxidoperoxysulfanylnaphthalen-2-yl]diazenyl]-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]-3-oxidoperoxysulfanylnaphthalene-1,6-disulfonate;6-[(4-hydroxyphenyl)diazenyl]-3-oxidoperoxysulfanyl-2-[[4-[[4-[(4-oxidoperoxysulfanylphenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]naphthalen-1-ol
CID 159446502
trisodium;7-[[3-methyl-4-[[3-methyl-4-[[4-[(4-oxidoperoxysulfanylphenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]carbamoylamino]naphthalene-1,3-disulfonate
CID 20679365
7-[(4-aminobenzoyl)amino]-3-[[2,5-dimethyl-4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
CID 143799559
N-[6-[[2,5-dimethyl-4-[[4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-5-hydroxy-7-(trioxidanylsulfanyl)naphthalen-2-yl]benzamide
CID 135978892
sodium 7-[[4-[[4-[(4-aminobenzoyl)amino]benzoyl]amino]-2-methylphenyl]diazenyl]-4-hydroxy-3-[(6-sulfonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonic acid
CID 135422260
trisodium;7-[[4-[[4-[[4-[(4-aminobenzoyl)amino]-2-methylphenyl]diazenyl]-7-sulfonatonaphthalen-1-yl]diazenyl]-2-methylphenyl]diazenyl]naphthalene-1,3-disulfonate
CID 6454997
sodium 7-[(4-aminobenzoyl)amino]-4-hydroxy-3-[(2-methoxy-5-methylphenyl)diazenyl]naphthalene-2-sulfonate
CID 135666463
4-amino-N-[5-hydroxy-6-[[2-hydroxy-4-[[2-methoxy-5-(trioxidanylsulfanyl)phenyl]diazenyl]-5-methylphenyl]diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]benzamide
CID 135992783
6-amino-2-[[5-hydroxy-6-[[2-hydroxy-5-methyl-4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-3-(trioxidanylsulfanyl)naphthalen-1-ol;6-anilino-2-[[2-hydroxy-4-[[6-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]phenyl]diazenyl]-3-(trioxidanylsulfanyl)naphthalen-1-ol;6-(anilinomethoxy)-2-[[2-hydroxy-4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]-3-(trioxidanylsulfanyl)naphthalen-1-ol;copper;7-[[4-[[6-[(2,4-dihydroxyphenyl)diazenyl]-1-hydroxy-3-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-5-hydroxy-2-methylphenyl]diazenyl]-3-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid;4-[[5-hydroxy-6-[[2-hydroxy-5-methyl-4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]-7-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]benzene-1,3-diol;2-[[2-hydroxy-5-methyl-4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]-6-[(4-hydroxyphenyl)diazenyl]-3-(trioxidanylsulfanyl)naphthalen-1-ol;6-[(4-hydroxyphenyl)diazenyl]-3-(trioxidanylsulfanyl)-2-[[4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]naphthalen-1-ol
CID 163498533
4-amino-N-[5-hydroxy-6-[[4-[[8-hydroxy-7-[(4-methylphenyl)diazenyl]-6-sulfonaphthalen-2-yl]carbamoyl]phenyl]diazenyl]-7-sulfonaphthalen-2-yl]benzenecarboximidic acid
CID 136775129

Frequently Asked Questions

What is the IUPAC name of dodecasodium;4-amino-N-(5-hydroxy-6-methyl-7-oxidoperoxysulfanylnaphthalen-2-yl)benzamide;4-amino-N-methylbenzamide;4-hydroxy-N-methylbenzamide;tris(4-[[4-[[4-[(1-hydroxy-6-methyl-3-oxidoperoxysulfanylnaphthalen-2-yl)diazenyl]-2-methylphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-N-(4-oxidoperoxysulfanylphenyl)benzamide);6-[(4-hydroxyphenyl)diazenyl]-2-methyl-3-oxidoperoxysulfanylnaphthalen-1-ol;4-(methyldiazenyl)phenol;bis(7-[[4-[[2-methyl-4-[[2-methyl-4-(methyldiazenyl)phenyl]diazenyl]phenyl]diazenyl]benzoyl]amino]-3-oxidoperoxysulfanylnaphthalene-1-sulfonate)?
The IUPAC name of dodecasodium;4-amino-N-(5-hydroxy-6-methyl-7-oxidoperoxysulfanylnaphthalen-2-yl)benzamide;4-amino-N-methylbenzamide;4-hydroxy-N-methylbenzamide;tris(4-[[4-[[4-[(1-hydroxy-6-methyl-3-oxidoperoxysulfanylnaphthalen-2-yl)diazenyl]-2-methylphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-N-(4-oxidoperoxysulfanylphenyl)benzamide);6-[(4-hydroxyphenyl)diazenyl]-2-methyl-3-oxidoperoxysulfanylnaphthalen-1-ol;4-(methyldiazenyl)phenol;bis(7-[[4-[[2-methyl-4-[[2-methyl-4-(methyldiazenyl)phenyl]diazenyl]phenyl]diazenyl]benzoyl]amino]-3-oxidoperoxysulfanylnaphthalene-1-sulfonate) (CID 158388924) is dodecasodium;4-amino-N-(5-hydroxy-6-methyl-7-oxidoperoxysulfanylnaphthalen-2-yl)benzamide;4-amino-N-methylbenzamide;4-hydroxy-N-methylbenzamide;tris(4-[[4-[[4-[(1-hydroxy-6-methyl-3-oxidoperoxysulfanylnaphthalen-2-yl)diazenyl]-2-methylphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-N-(4-oxidoperoxysulfanylphenyl)benzamide);6-[(4-hydroxyphenyl)diazenyl]-2-methyl-3-oxidoperoxysulfanylnaphthalen-1-ol;4-(methyldiazenyl)phenol;bis(7-[[4-[[2-methyl-4-[[2-methyl-4-(methyldiazenyl)phenyl]diazenyl]phenyl]diazenyl]benzoyl]amino]-3-oxidoperoxysulfanylnaphthalene-1-sulfonate).
What is the SMILES notation for dodecasodium;4-amino-N-(5-hydroxy-6-methyl-7-oxidoperoxysulfanylnaphthalen-2-yl)benzamide;4-amino-N-methylbenzamide;4-hydroxy-N-methylbenzamide;tris(4-[[4-[[4-[(1-hydroxy-6-methyl-3-oxidoperoxysulfanylnaphthalen-2-yl)diazenyl]-2-methylphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-N-(4-oxidoperoxysulfanylphenyl)benzamide);6-[(4-hydroxyphenyl)diazenyl]-2-methyl-3-oxidoperoxysulfanylnaphthalen-1-ol;4-(methyldiazenyl)phenol;bis(7-[[4-[[2-methyl-4-[[2-methyl-4-(methyldiazenyl)phenyl]diazenyl]phenyl]diazenyl]benzoyl]amino]-3-oxidoperoxysulfanylnaphthalene-1-sulfonate)?
The canonical SMILES for dodecasodium;4-amino-N-(5-hydroxy-6-methyl-7-oxidoperoxysulfanylnaphthalen-2-yl)benzamide;4-amino-N-methylbenzamide;4-hydroxy-N-methylbenzamide;tris(4-[[4-[[4-[(1-hydroxy-6-methyl-3-oxidoperoxysulfanylnaphthalen-2-yl)diazenyl]-2-methylphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-N-(4-oxidoperoxysulfanylphenyl)benzamide);6-[(4-hydroxyphenyl)diazenyl]-2-methyl-3-oxidoperoxysulfanylnaphthalen-1-ol;4-(methyldiazenyl)phenol;bis(7-[[4-[[2-methyl-4-[[2-methyl-4-(methyldiazenyl)phenyl]diazenyl]phenyl]diazenyl]benzoyl]amino]-3-oxidoperoxysulfanylnaphthalene-1-sulfonate) is C/N=N/c1ccc(/N=N/c2ccc(/N=N/c3ccc(C(=O)Nc4ccc5cc(SOO[O-])cc(S(=O)(=O)[O-])c5c4)cc3)c(C)c2)c(C)c1.C/N=N/c1ccc(/N=N/c2ccc(/N=N/c3ccc(C(=O)Nc4ccc5cc(SOO[O-])cc(S(=O)(=O)[O-])c5c4)cc3)c(C)c2)c(C)c1.C/N=N/c1ccc(O)cc1.CNC(=O)c1ccc(N)cc1.CNC(=O)c1ccc(O)cc1.Cc1c(SOO[O-])cc2cc(/N=N/c3ccc(O)cc3)ccc2c1O.Cc1c(SOO[O-])cc2cc(NC(=O)c3ccc(N)cc3)ccc2c1O.Cc1ccc2c(O)c(/N=N/c3ccc(/N=N/c4cc(C)c(/N=N/c5ccc(C(=O)Nc6ccc(SOO[O-])cc6)cc5)cc4C)c(C)c3)c(SOO[O-])cc2c1.Cc1ccc2c(O)c(/N=N/c3ccc(/N=N/c4cc(C)c(/N=N/c5ccc(C(=O)Nc6ccc(SOO[O-])cc6)cc5)cc4C)c(C)c3)c(SOO[O-])cc2c1.Cc1ccc2c(O)c(/N=N/c3ccc(/N=N/c4cc(C)c(/N=N/c5ccc(C(=O)Nc6ccc(SOO[O-])cc6)cc5)cc4C)c(C)c3)c(SOO[O-])cc2c1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of dodecasodium;4-amino-N-(5-hydroxy-6-methyl-7-oxidoperoxysulfanylnaphthalen-2-yl)benzamide;4-amino-N-methylbenzamide;4-hydroxy-N-methylbenzamide;tris(4-[[4-[[4-[(1-hydroxy-6-methyl-3-oxidoperoxysulfanylnaphthalen-2-yl)diazenyl]-2-methylphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-N-(4-oxidoperoxysulfanylphenyl)benzamide);6-[(4-hydroxyphenyl)diazenyl]-2-methyl-3-oxidoperoxysulfanylnaphthalen-1-ol;4-(methyldiazenyl)phenol;bis(7-[[4-[[2-methyl-4-[[2-methyl-4-(methyldiazenyl)phenyl]diazenyl]phenyl]diazenyl]benzoyl]amino]-3-oxidoperoxysulfanylnaphthalene-1-sulfonate)?
The InChIKey is GWRXHPYJIZWSLW-HSVJRSGNSA-B. The full InChI is InChI=1S/3C39H33N7O8S2.2C32H27N7O7S2.C18H16N2O5S.C17H14N2O5S.C8H10N2O.C8H9NO2.C7H8N2O.12Na/c3*1-22-5-15-32-27(17-22)21-36(56-54-52-50)37(38(32)47)46-42-30-12-16-33(23(2)18-30)43-45-35-20-24(3)34(19-25(35)4)44-41-29-8-6-26(7-9-29)39(48)40-28-10-13-31(14-11-28)55-53-51-49;2*1-19-14-25(35-33-3)10-12-30(19)39-37-26-11-13-29(20(2)15-26)38-36-23-7-4-21(5-8-23)32(40)34-24-9-6-22-16-27(47-46-45-41)18-31(28(22)17-24)48(42,43)44;1-10-16(26-25-24-23)9-12-8-14(6-7-15(12)17(10)21)20-18(22)11-2-4-13(19)5-3-11;1-10-16(25-24-23-22)9-11-8-13(4-7-15(11)17(10)21)19-18-12-2-5-14(20)6-3-12;1-10-8(11)6-2-4-7(9)5-3-6;1-9-8(11)6-2-4-7(10)5-3-6;1-8-9-6-2-4-7(10)5-3-6;;;;;;;;;;;;/h3*5-21,47,49-50H,1-4H3,(H,40,48);2*4-18,41H,1-3H3,(H,34,40)(H,42,43,44);2-9,21,23H,19H2,1H3,(H,20,22);2-9,20-22H,1H3;2-5H,9H2,1H3,(H,10,11);2-5,10H,1H3,(H,9,11);2-5,10H,1H3;;;;;;;;;;;;/q;;;;;;;;;;12*+1/p-12/b3*44-41+,45-43+,46-42+;2*35-33+,38-36+,39-37+;;19-18+;;;9-8+;;;;;;;;;;;;.
What are the key properties of dodecasodium;4-amino-N-(5-hydroxy-6-methyl-7-oxidoperoxysulfanylnaphthalen-2-yl)benzamide;4-amino-N-methylbenzamide;4-hydroxy-N-methylbenzamide;tris(4-[[4-[[4-[(1-hydroxy-6-methyl-3-oxidoperoxysulfanylnaphthalen-2-yl)diazenyl]-2-methylphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-N-(4-oxidoperoxysulfanylphenyl)benzamide);6-[(4-hydroxyphenyl)diazenyl]-2-methyl-3-oxidoperoxysulfanylnaphthalen-1-ol;4-(methyldiazenyl)phenol;bis(7-[[4-[[2-methyl-4-[[2-methyl-4-(methyldiazenyl)phenyl]diazenyl]phenyl]diazenyl]benzoyl]amino]-3-oxidoperoxysulfanylnaphthalene-1-sulfonate)?
dodecasodium;4-amino-N-(5-hydroxy-6-methyl-7-oxidoperoxysulfanylnaphthalen-2-yl)benzamide;4-amino-N-methylbenzamide;4-hydroxy-N-methylbenzamide;tris(4-[[4-[[4-[(1-hydroxy-6-methyl-3-oxidoperoxysulfanylnaphthalen-2-yl)diazenyl]-2-methylphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-N-(4-oxidoperoxysulfanylphenyl)benzamide);6-[(4-hydroxyphenyl)diazenyl]-2-methyl-3-oxidoperoxysulfanylnaphthalen-1-ol;4-(methyldiazenyl)phenol;bis(7-[[4-[[2-methyl-4-[[2-methyl-4-(methyldiazenyl)phenyl]diazenyl]phenyl]diazenyl]benzoyl]amino]-3-oxidoperoxysulfanylnaphthalene-1-sulfonate) has a molecular weight of 5179.15 g/mol, XLogP of 23.65, 77 rotatable bonds, 18 hydrogen bond donors, and 98 hydrogen bond acceptors.
Where does this data come from?
All data for dodecasodium;4-amino-N-(5-hydroxy-6-methyl-7-oxidoperoxysulfanylnaphthalen-2-yl)benzamide;4-amino-N-methylbenzamide;4-hydroxy-N-methylbenzamide;tris(4-[[4-[[4-[(1-hydroxy-6-methyl-3-oxidoperoxysulfanylnaphthalen-2-yl)diazenyl]-2-methylphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-N-(4-oxidoperoxysulfanylphenyl)benzamide);6-[(4-hydroxyphenyl)diazenyl]-2-methyl-3-oxidoperoxysulfanylnaphthalen-1-ol;4-(methyldiazenyl)phenol;bis(7-[[4-[[2-methyl-4-[[2-methyl-4-(methyldiazenyl)phenyl]diazenyl]phenyl]diazenyl]benzoyl]amino]-3-oxidoperoxysulfanylnaphthalene-1-sulfonate) is sourced from PubChem (CID 158388924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).