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

C78H71N16Na11O56S17 — CID 159456380

IUPACundecasodium;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
SMILESCOc1ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc1/N=N/c1c(N)c(/N=N/c2ccc(S(=O)(=O)CCOSOO[O-])cc2)cc(S(=O)(=O)[O-])c1N.COc1ccc(S(=O)(=O)CCOSOO[O-])cc1/N=N/c1c(SOO[O-])cc2c(/N=N/c3ccc(S(=O)(=O)CCOSOO[O-])cc3)c(NCS(=O)(=O)[O-])ccc2c1O.COc1ccc(S(=O)(=O)CCOSOO[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+].[Na+].[Na+]
InChIInChI=1S/C28H29N5O20S6.C27H27N5O20S6.C23H26N6O16S5.11Na/c1-45-24-9-6-19(58(40,41)13-11-47-56-53-50-37)14-23(24)31-33-27-25(54-51-48-35)15-21-20(28(27)34)7-8-22(29-16-59(42,43)44)26(21)32-30-17-2-4-18(5-3-17)57(38,39)12-10-46-55-52-49-36;1-46-20-7-6-18(56(38,39)10-8-47-54-52-50-35)14-19(20)30-31-25-21(53-51-49-34)12-15-13-22(57(40,41)42)26(24(28)23(15)27(25)33)32-29-16-2-4-17(5-3-16)55(36,37)11-9-48-58(43,44)45;1-41-19-7-6-16(48(33,34)11-9-43-50(38,39)40)12-17(19)27-29-23-21(24)18(13-20(22(23)25)49(35,36)37)28-26-14-2-4-15(5-3-14)47(31,32)10-8-42-46-45-44-30;;;;;;;;;;;/h2-9,14-15,29,34-37H,10-13,16H2,1H3,(H,42,43,44);2-7,12-14,33-35H,8-11,28H2,1H3,(H,40,41,42)(H,43,44,45);2-7,12-13,30H,8-11,24-25H2,1H3,(H,35,36,37)(H,38,39,40);;;;;;;;;;;/q;;;11*+1/p-11/b32-30+,33-31+;31-30+,32-29+;28-26+,29-27+;;;;;;;;;;;
InChIKeyLUAKBMGKBUHKCJ-RUIKYATRSA-C
MW2926.51 g/mol
LogP-26.92
Rot. Bonds64

About 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

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 (PubChem CID 159456380) has the molecular formula C78H71N16Na11O56S17 and a molecular weight of 2926.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameundecasodium;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
PubChem CID159456380
Molecular FormulaC78H71N16Na11O56S17
Molecular Weight2926.51 g/mol
Exact Mass2923.73
IUPAC Nameundecasodium;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
SMILESCOc1ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc1/N=N/c1c(N)c(/N=N/c2ccc(S(=O)(=O)CCOSOO[O-])cc2)cc(S(=O)(=O)[O-])c1N.COc1ccc(S(=O)(=O)CCOSOO[O-])cc1/N=N/c1c(SOO[O-])cc2c(/N=N/c3ccc(S(=O)(=O)CCOSOO[O-])cc3)c(NCS(=O)(=O)[O-])ccc2c1O.COc1ccc(S(=O)(=O)CCOSOO[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+].[Na+].[Na+]
InChIInChI=1S/C28H29N5O20S6.C27H27N5O20S6.C23H26N6O16S5.11Na/c1-45-24-9-6-19(58(40,41)13-11-47-56-53-50-37)14-23(24)31-33-27-25(54-51-48-35)15-21-20(28(27)34)7-8-22(29-16-59(42,43)44)26(21)32-30-17-2-4-18(5-3-17)57(38,39)12-10-46-55-52-49-36;1-46-20-7-6-18(56(38,39)10-8-47-54-52-50-35)14-19(20)30-31-25-21(53-51-49-34)12-15-13-22(57(40,41)42)26(24(28)23(15)27(25)33)32-29-16-2-4-17(5-3-16)55(36,37)11-9-48-58(43,44)45;1-41-19-7-6-16(48(33,34)11-9-43-50(38,39)40)12-17(19)27-29-23-21(24)18(13-20(22(23)25)49(35,36)37)28-26-14-2-4-15(5-3-14)47(31,32)10-8-42-46-45-44-30;;;;;;;;;;;/h2-9,14-15,29,34-37H,10-13,16H2,1H3,(H,42,43,44);2-7,12-14,33-35H,8-11,28H2,1H3,(H,40,41,42)(H,43,44,45);2-7,12-13,30H,8-11,24-25H2,1H3,(H,35,36,37)(H,38,39,40);;;;;;;;;;;/q;;;11*+1/p-11/b32-30+,33-31+;31-30+,32-29+;28-26+,29-27+;;;;;;;;;;;
InChIKeyLUAKBMGKBUHKCJ-RUIKYATRSA-C
XLogP-26.92
TPSA1101.90 Ų
H-Bond Donors6
H-Bond Acceptors78
Rotatable Bonds64
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002926.51
LogP ≤ 5-26.92
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1078

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
octasodium;4-amino-5-hydroxy-7-oxidoperoxysulfanyl-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate;2,4-diamino-5-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]benzenesulfonate;[[5-hydroxy-7-oxidoperoxysulfanyl-1-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]naphthalen-2-yl]amino]methanesulfonate
CID 158351576
tetrasodium;2-amino-5-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]-4-(sulfonatomethylamino)-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]benzenesulfonate
CID 59836847
trisodium;4-amino-5-hydroxy-7-oxidoperoxysulfanyl-3,6-bis(phenyldiazenyl)naphthalene-2-sulfonate;ethane;2-methylsulfonylethyl sulfate
CID 161409133
octasodium;4-[[4-chloro-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-5-hydroxy-7-oxidoperoxysulfanyl-6-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate;[[5-hydroxy-7-oxidoperoxysulfanyloxy-1,6-bis[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]naphthalen-2-yl]amino]methanesulfonate
CID 158091268
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
tetrasodium;2-[[2,4-diamino-5-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]phenyl]diazenyl]-5-oxidoperoxysulfanylnaphthalene-1-sulfonate
CID 59858578
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
trisodium;4-amino-5-hydroxy-7-methylsulfonyl-3-[[4-(2-methylsulfonyloxyethylsulfonyl)phenyl]diazenyl]-6-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate
CID 161286527
tetrasodium;2,4-diamino-5-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)-2-sulfonatophenyl]diazenyl]-3-[[3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]carbamoyl]phenyl]diazenyl]benzenesulfonate
CID 21028762
disodium;2,4-diamino-5-[[2-methoxy-5-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]benzenesulfonate
CID 59836876
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc1/N=N/c1c(N)c(/N=N/c2ccc(S(=O)(=O)CCOSOO[O-])cc2)cc(S(=O)(=O)[O-])c1N.COc1ccc(S(=O)(=O)CCOSOO[O-])cc1/N=N/c1c(SOO[O-])cc2c(/N=N/c3ccc(S(=O)(=O)CCOSOO[O-])cc3)c(NCS(=O)(=O)[O-])ccc2c1O.COc1ccc(S(=O)(=O)CCOSOO[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+].[Na+].[Na+].
What is the InChIKey of 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?
The InChIKey is LUAKBMGKBUHKCJ-RUIKYATRSA-C. The full InChI is InChI=1S/C28H29N5O20S6.C27H27N5O20S6.C23H26N6O16S5.11Na/c1-45-24-9-6-19(58(40,41)13-11-47-56-53-50-37)14-23(24)31-33-27-25(54-51-48-35)15-21-20(28(27)34)7-8-22(29-16-59(42,43)44)26(21)32-30-17-2-4-18(5-3-17)57(38,39)12-10-46-55-52-49-36;1-46-20-7-6-18(56(38,39)10-8-47-54-52-50-35)14-19(20)30-31-25-21(53-51-49-34)12-15-13-22(57(40,41)42)26(24(28)23(15)27(25)33)32-29-16-2-4-17(5-3-16)55(36,37)11-9-48-58(43,44)45;1-41-19-7-6-16(48(33,34)11-9-43-50(38,39)40)12-17(19)27-29-23-21(24)18(13-20(22(23)25)49(35,36)37)28-26-14-2-4-15(5-3-14)47(31,32)10-8-42-46-45-44-30;;;;;;;;;;;/h2-9,14-15,29,34-37H,10-13,16H2,1H3,(H,42,43,44);2-7,12-14,33-35H,8-11,28H2,1H3,(H,40,41,42)(H,43,44,45);2-7,12-13,30H,8-11,24-25H2,1H3,(H,35,36,37)(H,38,39,40);;;;;;;;;;;/q;;;11*+1/p-11/b32-30+,33-31+;31-30+,32-29+;28-26+,29-27+;;;;;;;;;;;.
What are the key properties of 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?
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 has a molecular weight of 2926.51 g/mol, XLogP of -26.92, 64 rotatable bonds, 6 hydrogen bond donors, and 78 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159456380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).