decasodium;5-amino-3-[[4-[[4-[bis(2-hydroxyethyl)sulfamoyl]phenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;5-amino-3-[[2,5-dimethoxy-4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;5-amino-3-[[2,5-dimethoxy-4-[[4-(pentan-3-ylsulfamoyl)phenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;bis(5-amino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate);pentakis(sulfur trioxide)

C134H125N27Na10O51S14 — CID 162120790

IUPACdecasodium;5-amino-3-[[4-[[4-[bis(2-hydroxyethyl)sulfamoyl]phenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;5-amino-3-[[2,5-dimethoxy-4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;5-amino-3-[[2,5-dimethoxy-4-[[4-(pentan-3-ylsulfamoyl)phenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;bis(5-amino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate);pentakis(sulfur trioxide)
SMILESCCC(CC)NS(=O)(=O)c1ccc(/N=N/c2cc(OC)c(/N=N/c3c(S(=O)(=O)[O-])cc4c[c-]cc(N)c4c3O)cc2OC)cc1.CCS(=O)(=O)c1ccc(/N=N/c2cc(C)c(/N=N/c3c(S(=O)(=O)[O-])cc4c[c-]cc(N)c4c3O)cc2C)cc1.CCS(=O)(=O)c1ccc(/N=N/c2cc(C)c(/N=N/c3c(S(=O)(=O)[O-])cc4c[c-]cc(N)c4c3O)cc2C)cc1.COc1cc(/N=N/c2c(S(=O)(=O)[O-])cc3c[c-]cc(N)c3c2O)c(OC)cc1/N=N/c1ccc(C)cc1.COc1cc(/N=N/c2c(S(=O)(=O)[O-])cc3c[c-]cc(N)c3c2O)c(OC)cc1/N=N/c1ccc(S(=O)(=O)N(CCO)CCO)cc1.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C29H31N6O8S2.C28H29N6O10S2.2C26H24N5O6S2.C25H22N5O6S.10Na.5O3S/c1-5-18(6-2)35-44(37,38)20-12-10-19(11-13-20)31-32-22-15-25(43-4)23(16-24(22)42-3)33-34-28-26(45(39,40)41)14-17-8-7-9-21(30)27(17)29(28)36;1-43-23-16-22(32-33-27-25(46(40,41)42)14-17-4-3-5-20(29)26(17)28(27)37)24(44-2)15-21(23)31-30-18-6-8-19(9-7-18)45(38,39)34(10-12-35)11-13-36;2*1-4-38(33,34)19-10-8-18(9-11-19)28-29-21-12-16(3)22(13-15(21)2)30-31-25-23(39(35,36)37)14-17-6-5-7-20(27)24(17)26(25)32;1-14-7-9-16(10-8-14)27-28-18-12-21(36-3)19(13-20(18)35-2)29-30-24-22(37(32,33)34)11-15-5-4-6-17(26)23(15)25(24)31;;;;;;;;;;;5*1-4(2)3/h8-16,18,35-36H,5-6,30H2,1-4H3,(H,39,40,41);4-9,14-16,35-37H,10-13,29H2,1-2H3,(H,40,41,42);2*6-14,32H,4,27H2,1-3H3,(H,35,36,37);5-13,31H,26H2,1-3H3,(H,32,33,34);;;;;;;;;;;;;;;/q5*-1;10*+1;;;;;/p-5/b32-31+,34-33+;31-30+,33-32+;2*29-28+,31-30+;28-27+,30-29+;;;;;;;;;;;;;;;
InChIKeySHXCYNJUTUOPDW-YYVNLVLYSA-I
MW3608.45 g/mol
LogP-7.04
Rot. Bonds46

About decasodium;5-amino-3-[[4-[[4-[bis(2-hydroxyethyl)sulfamoyl]phenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;5-amino-3-[[2,5-dimethoxy-4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;5-amino-3-[[2,5-dimethoxy-4-[[4-(pentan-3-ylsulfamoyl)phenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;bis(5-amino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate);pentakis(sulfur trioxide)

decasodium;5-amino-3-[[4-[[4-[bis(2-hydroxyethyl)sulfamoyl]phenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;5-amino-3-[[2,5-dimethoxy-4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;5-amino-3-[[2,5-dimethoxy-4-[[4-(pentan-3-ylsulfamoyl)phenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;bis(5-amino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate);pentakis(sulfur trioxide) (PubChem CID 162120790) has the molecular formula C134H125N27Na10O51S14 and a molecular weight of 3608.45 g/mol. Its IUPAC name is decasodium;5-amino-3-[[4-[[4-[bis(2-hydroxyethyl)sulfamoyl]phenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;5-amino-3-[[2,5-dimethoxy-4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;5-amino-3-[[2,5-dimethoxy-4-[[4-(pentan-3-ylsulfamoyl)phenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;bis(5-amino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate);pentakis(sulfur trioxide).

Molecular Properties

Compound Namedecasodium;5-amino-3-[[4-[[4-[bis(2-hydroxyethyl)sulfamoyl]phenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;5-amino-3-[[2,5-dimethoxy-4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;5-amino-3-[[2,5-dimethoxy-4-[[4-(pentan-3-ylsulfamoyl)phenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;bis(5-amino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate);pentakis(sulfur trioxide)
PubChem CID162120790
Molecular FormulaC134H125N27Na10O51S14
Molecular Weight3608.45 g/mol
Exact Mass3605.31
IUPAC Namedecasodium;5-amino-3-[[4-[[4-[bis(2-hydroxyethyl)sulfamoyl]phenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;5-amino-3-[[2,5-dimethoxy-4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;5-amino-3-[[2,5-dimethoxy-4-[[4-(pentan-3-ylsulfamoyl)phenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;bis(5-amino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate);pentakis(sulfur trioxide)
SMILESCCC(CC)NS(=O)(=O)c1ccc(/N=N/c2cc(OC)c(/N=N/c3c(S(=O)(=O)[O-])cc4c[c-]cc(N)c4c3O)cc2OC)cc1.CCS(=O)(=O)c1ccc(/N=N/c2cc(C)c(/N=N/c3c(S(=O)(=O)[O-])cc4c[c-]cc(N)c4c3O)cc2C)cc1.CCS(=O)(=O)c1ccc(/N=N/c2cc(C)c(/N=N/c3c(S(=O)(=O)[O-])cc4c[c-]cc(N)c4c3O)cc2C)cc1.COc1cc(/N=N/c2c(S(=O)(=O)[O-])cc3c[c-]cc(N)c3c2O)c(OC)cc1/N=N/c1ccc(C)cc1.COc1cc(/N=N/c2c(S(=O)(=O)[O-])cc3c[c-]cc(N)c3c2O)c(OC)cc1/N=N/c1ccc(S(=O)(=O)N(CCO)CCO)cc1.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C29H31N6O8S2.C28H29N6O10S2.2C26H24N5O6S2.C25H22N5O6S.10Na.5O3S/c1-5-18(6-2)35-44(37,38)20-12-10-19(11-13-20)31-32-22-15-25(43-4)23(16-24(22)42-3)33-34-28-26(45(39,40)41)14-17-8-7-9-21(30)27(17)29(28)36;1-43-23-16-22(32-33-27-25(46(40,41)42)14-17-4-3-5-20(29)26(17)28(27)37)24(44-2)15-21(23)31-30-18-6-8-19(9-7-18)45(38,39)34(10-12-35)11-13-36;2*1-4-38(33,34)19-10-8-18(9-11-19)28-29-21-12-16(3)22(13-15(21)2)30-31-25-23(39(35,36)37)14-17-6-5-7-20(27)24(17)26(25)32;1-14-7-9-16(10-8-14)27-28-18-12-21(36-3)19(13-20(18)35-2)29-30-24-22(37(32,33)34)11-15-5-4-6-17(26)23(15)25(24)31;;;;;;;;;;;5*1-4(2)3/h8-16,18,35-36H,5-6,30H2,1-4H3,(H,39,40,41);4-9,14-16,35-37H,10-13,29H2,1-2H3,(H,40,41,42);2*6-14,32H,4,27H2,1-3H3,(H,35,36,37);5-13,31H,26H2,1-3H3,(H,32,33,34);;;;;;;;;;;;;;;/q5*-1;10*+1;;;;;/p-5/b32-31+,34-33+;31-30+,33-32+;2*29-28+,31-30+;28-27+,30-29+;;;;;;;;;;;;;;;
InChIKeySHXCYNJUTUOPDW-YYVNLVLYSA-I
XLogP-7.04
TPSA1268.17 Ų
H-Bond Donors13
H-Bond Acceptors76
Rotatable Bonds46
Heavy Atoms236
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003608.45
LogP ≤ 5-7.04
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1076

Analyze decasodium;5-amino-3-[[4-[[4-[bis(2-hydroxyethyl)sulfamoyl]phenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;5-amino-3-[[2,5-dimethoxy-4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;5-amino-3-[[2,5-dimethoxy-4-[[4-(pentan-3-ylsulfamoyl)phenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;bis(5-amino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate);pentakis(sulfur trioxide) with MolForge

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Related Compounds

dodecasodium;5-amino-3-[[4-[[4-[bis(2-hydroxyethyl)sulfamoyl]phenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;5-amino-3-[[2,5-dimethoxy-4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;tetrakis(5-amino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate);hexakis(sulfur trioxide)
CID 161159741
tetrasodium;bis(5-amino-4-hydroxy-3-[[2-methoxy-5-methyl-4-(methyldiazenyl)phenyl]diazenyl]-7H-naphthalen-7-ide-2-sulfonate);bis(1-ethylsulfonyl-4-methylbenzene);bis(sulfur trioxide)
CID 165075540
decasodium;5-acetamido-3-[[4-[[4-[bis(2-hydroxyethyl)sulfamoyl]phenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;5-acetamido-3-[[4-[[4-(diethylsulfamoyl)phenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;5-acetamido-3-[[2,5-dimethoxy-4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;5-acetamido-3-[[2,5-dimethoxy-4-[[4-[(4-methylphenyl)methylsulfonyl]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;5-acetamido-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethoxyphenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;pentakis(sulfur trioxide)
CID 159569090
octasodium;5-acetamido-3-[[2,5-dimethoxy-4-[[4-[(4-methylphenyl)methylsulfonyl]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;tris(5-acetamido-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethoxyphenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate);tetrakis(sulfur trioxide)
CID 159326984
dodecasodium;bis(5-amino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethoxyphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate);tris(5-amino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2-methoxy-5-methylphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate);5-amino-4-hydroxy-3-[[2-methoxy-5-methyl-4-[[4-[(4-methylphenyl)methylsulfonyl]phenyl]diazenyl]phenyl]diazenyl]naphthalene-2,7-disulfonate
CID 159744401
hexasodium;5-acetamido-3-[[2,5-dimethyl-4-[[4-[(4-methylphenyl)methylsulfonyl]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;tris(7-anilino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2-methoxy-5-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate);7-anilino-4-hydroxy-3-[[2-methoxy-5-methyl-4-[[4-[(4-methylphenyl)methylsulfonyl]phenyl]diazenyl]phenyl]diazenyl]naphthalene-2-sulfonate;sulfur trioxide
CID 162204196
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
4-[(4-amino-2,5-dimethoxyphenyl)diazenyl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 88561091
hexasodium;7-anilino-3-[[2,5-dimethoxy-4-[[4-[(4-methylphenyl)methylsulfonyl]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;7-anilino-3-[[2,5-dimethyl-4-[[4-[(4-methylphenyl)methylsulfonyl]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;7-anilino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethoxyphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;tris(7-anilino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate)
CID 160731884
tetrasodium;7-anilino-3-[[2,5-dimethyl-4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;tris(7-anilino-4-hydroxy-3-[(2,4,5-trimethylphenyl)diazenyl]naphthalene-2-sulfonate);N,N-diethyl-4-(methyldiazenyl)benzenesulfonamide;N-(2-hydroxyethyl)-4-(methyldiazenyl)-N-propylbenzenesulfonamide;methane;4-(methyldiazenyl)-N-(4-methylphenyl)benzenesulfonamide
CID 165111171
5-amino-3-[[4-[2-[4-[bis(2-hydroxyethyl)sulfamoyl]phenyl]hydrazinyl]-2,5-dimethoxyphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid
CID 136968661
5-amino-3-[[4-[[5-[(8-amino-1-hydroxy-3,6-disulfonaphthalen-2-yl)diazenyl]-4-methoxy-2-methylphenyl]diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid
CID 170845452

Frequently Asked Questions

What is the IUPAC name of decasodium;5-amino-3-[[4-[[4-[bis(2-hydroxyethyl)sulfamoyl]phenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;5-amino-3-[[2,5-dimethoxy-4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;5-amino-3-[[2,5-dimethoxy-4-[[4-(pentan-3-ylsulfamoyl)phenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;bis(5-amino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate);pentakis(sulfur trioxide)?
The IUPAC name of decasodium;5-amino-3-[[4-[[4-[bis(2-hydroxyethyl)sulfamoyl]phenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;5-amino-3-[[2,5-dimethoxy-4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;5-amino-3-[[2,5-dimethoxy-4-[[4-(pentan-3-ylsulfamoyl)phenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;bis(5-amino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate);pentakis(sulfur trioxide) (CID 162120790) is decasodium;5-amino-3-[[4-[[4-[bis(2-hydroxyethyl)sulfamoyl]phenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;5-amino-3-[[2,5-dimethoxy-4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;5-amino-3-[[2,5-dimethoxy-4-[[4-(pentan-3-ylsulfamoyl)phenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;bis(5-amino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate);pentakis(sulfur trioxide).
What is the SMILES notation for decasodium;5-amino-3-[[4-[[4-[bis(2-hydroxyethyl)sulfamoyl]phenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;5-amino-3-[[2,5-dimethoxy-4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;5-amino-3-[[2,5-dimethoxy-4-[[4-(pentan-3-ylsulfamoyl)phenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;bis(5-amino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate);pentakis(sulfur trioxide)?
The canonical SMILES for decasodium;5-amino-3-[[4-[[4-[bis(2-hydroxyethyl)sulfamoyl]phenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;5-amino-3-[[2,5-dimethoxy-4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;5-amino-3-[[2,5-dimethoxy-4-[[4-(pentan-3-ylsulfamoyl)phenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;bis(5-amino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate);pentakis(sulfur trioxide) is CCC(CC)NS(=O)(=O)c1ccc(/N=N/c2cc(OC)c(/N=N/c3c(S(=O)(=O)[O-])cc4c[c-]cc(N)c4c3O)cc2OC)cc1.CCS(=O)(=O)c1ccc(/N=N/c2cc(C)c(/N=N/c3c(S(=O)(=O)[O-])cc4c[c-]cc(N)c4c3O)cc2C)cc1.CCS(=O)(=O)c1ccc(/N=N/c2cc(C)c(/N=N/c3c(S(=O)(=O)[O-])cc4c[c-]cc(N)c4c3O)cc2C)cc1.COc1cc(/N=N/c2c(S(=O)(=O)[O-])cc3c[c-]cc(N)c3c2O)c(OC)cc1/N=N/c1ccc(C)cc1.COc1cc(/N=N/c2c(S(=O)(=O)[O-])cc3c[c-]cc(N)c3c2O)c(OC)cc1/N=N/c1ccc(S(=O)(=O)N(CCO)CCO)cc1.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of decasodium;5-amino-3-[[4-[[4-[bis(2-hydroxyethyl)sulfamoyl]phenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;5-amino-3-[[2,5-dimethoxy-4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;5-amino-3-[[2,5-dimethoxy-4-[[4-(pentan-3-ylsulfamoyl)phenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;bis(5-amino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate);pentakis(sulfur trioxide)?
The InChIKey is SHXCYNJUTUOPDW-YYVNLVLYSA-I. The full InChI is InChI=1S/C29H31N6O8S2.C28H29N6O10S2.2C26H24N5O6S2.C25H22N5O6S.10Na.5O3S/c1-5-18(6-2)35-44(37,38)20-12-10-19(11-13-20)31-32-22-15-25(43-4)23(16-24(22)42-3)33-34-28-26(45(39,40)41)14-17-8-7-9-21(30)27(17)29(28)36;1-43-23-16-22(32-33-27-25(46(40,41)42)14-17-4-3-5-20(29)26(17)28(27)37)24(44-2)15-21(23)31-30-18-6-8-19(9-7-18)45(38,39)34(10-12-35)11-13-36;2*1-4-38(33,34)19-10-8-18(9-11-19)28-29-21-12-16(3)22(13-15(21)2)30-31-25-23(39(35,36)37)14-17-6-5-7-20(27)24(17)26(25)32;1-14-7-9-16(10-8-14)27-28-18-12-21(36-3)19(13-20(18)35-2)29-30-24-22(37(32,33)34)11-15-5-4-6-17(26)23(15)25(24)31;;;;;;;;;;;5*1-4(2)3/h8-16,18,35-36H,5-6,30H2,1-4H3,(H,39,40,41);4-9,14-16,35-37H,10-13,29H2,1-2H3,(H,40,41,42);2*6-14,32H,4,27H2,1-3H3,(H,35,36,37);5-13,31H,26H2,1-3H3,(H,32,33,34);;;;;;;;;;;;;;;/q5*-1;10*+1;;;;;/p-5/b32-31+,34-33+;31-30+,33-32+;2*29-28+,31-30+;28-27+,30-29+;;;;;;;;;;;;;;;.
What are the key properties of decasodium;5-amino-3-[[4-[[4-[bis(2-hydroxyethyl)sulfamoyl]phenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;5-amino-3-[[2,5-dimethoxy-4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;5-amino-3-[[2,5-dimethoxy-4-[[4-(pentan-3-ylsulfamoyl)phenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;bis(5-amino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate);pentakis(sulfur trioxide)?
decasodium;5-amino-3-[[4-[[4-[bis(2-hydroxyethyl)sulfamoyl]phenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;5-amino-3-[[2,5-dimethoxy-4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;5-amino-3-[[2,5-dimethoxy-4-[[4-(pentan-3-ylsulfamoyl)phenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;bis(5-amino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate);pentakis(sulfur trioxide) has a molecular weight of 3608.45 g/mol, XLogP of -7.04, 46 rotatable bonds, 13 hydrogen bond donors, and 76 hydrogen bond acceptors.
Where does this data come from?
All data for decasodium;5-amino-3-[[4-[[4-[bis(2-hydroxyethyl)sulfamoyl]phenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;5-amino-3-[[2,5-dimethoxy-4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;5-amino-3-[[2,5-dimethoxy-4-[[4-(pentan-3-ylsulfamoyl)phenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;bis(5-amino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate);pentakis(sulfur trioxide) is sourced from PubChem (CID 162120790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).