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)

C149H137N27Na10O60S14 — CID 159569090

IUPACdecasodium;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)
SMILESCCN(CC)S(=O)(=O)c1ccc(/N=N/c2cc(OC)c(/N=N/c3c(S(=O)(=O)[O-])cc4c[c-]cc(NC(C)=O)c4c3O)cc2OC)cc1.CCS(=O)(=O)c1ccc(/N=N/c2cc(OC)c(/N=N/c3c(S(=O)(=O)[O-])cc4c[c-]cc(NC(C)=O)c4c3O)cc2OC)cc1.COc1cc(/N=N/c2c(S(=O)(=O)[O-])cc3c[c-]cc(NC(C)=O)c3c2O)c(OC)cc1/N=N/c1ccc(C)cc1.COc1cc(/N=N/c2c(S(=O)(=O)[O-])cc3c[c-]cc(NC(C)=O)c3c2O)c(OC)cc1/N=N/c1ccc(S(=O)(=O)Cc2ccc(C)cc2)cc1.COc1cc(/N=N/c2c(S(=O)(=O)[O-])cc3c[c-]cc(NC(C)=O)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/C34H30N5O9S2.C30H31N6O11S2.C30H31N6O9S2.C28H26N5O9S2.C27H24N5O7S.10Na.5O3S/c1-20-8-10-22(11-9-20)19-49(42,43)25-14-12-24(13-15-25)36-37-27-17-30(48-4)28(18-29(27)47-3)38-39-33-31(50(44,45)46)16-23-6-5-7-26(35-21(2)40)32(23)34(33)41;1-18(39)31-22-6-4-5-19-15-27(49(43,44)45)29(30(40)28(19)22)35-34-24-17-25(46-2)23(16-26(24)47-3)33-32-20-7-9-21(10-8-20)48(41,42)36(11-13-37)12-14-38;1-6-36(7-2)46(39,40)21-13-11-20(12-14-21)32-33-23-16-26(45-5)24(17-25(23)44-4)34-35-29-27(47(41,42)43)15-19-9-8-10-22(31-18(3)37)28(19)30(29)38;1-5-43(36,37)19-11-9-18(10-12-19)30-31-21-14-24(42-4)22(15-23(21)41-3)32-33-27-25(44(38,39)40)13-17-7-6-8-20(29-16(2)34)26(17)28(27)35;1-15-8-10-18(11-9-15)29-30-20-13-23(39-4)21(14-22(20)38-3)31-32-26-24(40(35,36)37)12-17-6-5-7-19(28-16(2)33)25(17)27(26)34;;;;;;;;;;;5*1-4(2)3/h6-18,41H,19H2,1-4H3,(H,35,40)(H,44,45,46);5-10,15-17,37-38,40H,11-14H2,1-3H3,(H,31,39)(H,43,44,45);9-17,38H,6-7H2,1-5H3,(H,31,37)(H,41,42,43);7-15,35H,5H2,1-4H3,(H,29,34)(H,38,39,40);6-14,34H,1-4H3,(H,28,33)(H,35,36,37);;;;;;;;;;;;;;;/q5*-1;10*+1;;;;;/p-5/b37-36+,39-38+;2*33-32+,35-34+;31-30+,33-32+;30-29+,32-31+;;;;;;;;;;;;;;;
InChIKeyHRZFLNTVCCTQLX-RTFGPAMDSA-I
MW3944.70 g/mol
LogP-5.31
Rot. Bonds55

About 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)

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) (PubChem CID 159569090) has the molecular formula C149H137N27Na10O60S14 and a molecular weight of 3944.70 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Namedecasodium;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)
PubChem CID159569090
Molecular FormulaC149H137N27Na10O60S14
Molecular Weight3944.70 g/mol
Exact Mass3941.36
IUPAC Namedecasodium;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)
SMILESCCN(CC)S(=O)(=O)c1ccc(/N=N/c2cc(OC)c(/N=N/c3c(S(=O)(=O)[O-])cc4c[c-]cc(NC(C)=O)c4c3O)cc2OC)cc1.CCS(=O)(=O)c1ccc(/N=N/c2cc(OC)c(/N=N/c3c(S(=O)(=O)[O-])cc4c[c-]cc(NC(C)=O)c4c3O)cc2OC)cc1.COc1cc(/N=N/c2c(S(=O)(=O)[O-])cc3c[c-]cc(NC(C)=O)c3c2O)c(OC)cc1/N=N/c1ccc(C)cc1.COc1cc(/N=N/c2c(S(=O)(=O)[O-])cc3c[c-]cc(NC(C)=O)c3c2O)c(OC)cc1/N=N/c1ccc(S(=O)(=O)Cc2ccc(C)cc2)cc1.COc1cc(/N=N/c2c(S(=O)(=O)[O-])cc3c[c-]cc(NC(C)=O)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/C34H30N5O9S2.C30H31N6O11S2.C30H31N6O9S2.C28H26N5O9S2.C27H24N5O7S.10Na.5O3S/c1-20-8-10-22(11-9-20)19-49(42,43)25-14-12-24(13-15-25)36-37-27-17-30(48-4)28(18-29(27)47-3)38-39-33-31(50(44,45)46)16-23-6-5-7-26(35-21(2)40)32(23)34(33)41;1-18(39)31-22-6-4-5-19-15-27(49(43,44)45)29(30(40)28(19)22)35-34-24-17-25(46-2)23(16-26(24)47-3)33-32-20-7-9-21(10-8-20)48(41,42)36(11-13-37)12-14-38;1-6-36(7-2)46(39,40)21-13-11-20(12-14-21)32-33-23-16-26(45-5)24(17-25(23)44-4)34-35-29-27(47(41,42)43)15-19-9-8-10-22(31-18(3)37)28(19)30(29)38;1-5-43(36,37)19-11-9-18(10-12-19)30-31-21-14-24(42-4)22(15-23(21)41-3)32-33-27-25(44(38,39)40)13-17-7-6-8-20(29-16(2)34)26(17)28(27)35;1-15-8-10-18(11-9-15)29-30-20-13-23(39-4)21(14-22(20)38-3)31-32-26-24(40(35,36)37)12-17-6-5-7-19(28-16(2)33)25(17)27(26)34;;;;;;;;;;;5*1-4(2)3/h6-18,41H,19H2,1-4H3,(H,35,40)(H,44,45,46);5-10,15-17,37-38,40H,11-14H2,1-3H3,(H,31,39)(H,43,44,45);9-17,38H,6-7H2,1-5H3,(H,31,37)(H,41,42,43);7-15,35H,5H2,1-4H3,(H,29,34)(H,38,39,40);6-14,34H,1-4H3,(H,28,33)(H,35,36,37);;;;;;;;;;;;;;;/q5*-1;10*+1;;;;;/p-5/b37-36+,39-38+;2*33-32+,35-34+;31-30+,33-32+;30-29+,32-31+;;;;;;;;;;;;;;;
InChIKeyHRZFLNTVCCTQLX-RTFGPAMDSA-I
XLogP-5.31
TPSA1311.70 Ų
H-Bond Donors12
H-Bond Acceptors80
Rotatable Bonds55
Heavy Atoms260
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003944.70
LogP ≤ 5-5.31
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1080

Analyze 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) with MolForge

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Related Compounds

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;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
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-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
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
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
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
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
4-[(4-amino-2,5-dimethoxyphenyl)diazenyl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 88561091
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-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 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is CCN(CC)S(=O)(=O)c1ccc(/N=N/c2cc(OC)c(/N=N/c3c(S(=O)(=O)[O-])cc4c[c-]cc(NC(C)=O)c4c3O)cc2OC)cc1.CCS(=O)(=O)c1ccc(/N=N/c2cc(OC)c(/N=N/c3c(S(=O)(=O)[O-])cc4c[c-]cc(NC(C)=O)c4c3O)cc2OC)cc1.COc1cc(/N=N/c2c(S(=O)(=O)[O-])cc3c[c-]cc(NC(C)=O)c3c2O)c(OC)cc1/N=N/c1ccc(C)cc1.COc1cc(/N=N/c2c(S(=O)(=O)[O-])cc3c[c-]cc(NC(C)=O)c3c2O)c(OC)cc1/N=N/c1ccc(S(=O)(=O)Cc2ccc(C)cc2)cc1.COc1cc(/N=N/c2c(S(=O)(=O)[O-])cc3c[c-]cc(NC(C)=O)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-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)?
The InChIKey is HRZFLNTVCCTQLX-RTFGPAMDSA-I. The full InChI is InChI=1S/C34H30N5O9S2.C30H31N6O11S2.C30H31N6O9S2.C28H26N5O9S2.C27H24N5O7S.10Na.5O3S/c1-20-8-10-22(11-9-20)19-49(42,43)25-14-12-24(13-15-25)36-37-27-17-30(48-4)28(18-29(27)47-3)38-39-33-31(50(44,45)46)16-23-6-5-7-26(35-21(2)40)32(23)34(33)41;1-18(39)31-22-6-4-5-19-15-27(49(43,44)45)29(30(40)28(19)22)35-34-24-17-25(46-2)23(16-26(24)47-3)33-32-20-7-9-21(10-8-20)48(41,42)36(11-13-37)12-14-38;1-6-36(7-2)46(39,40)21-13-11-20(12-14-21)32-33-23-16-26(45-5)24(17-25(23)44-4)34-35-29-27(47(41,42)43)15-19-9-8-10-22(31-18(3)37)28(19)30(29)38;1-5-43(36,37)19-11-9-18(10-12-19)30-31-21-14-24(42-4)22(15-23(21)41-3)32-33-27-25(44(38,39)40)13-17-7-6-8-20(29-16(2)34)26(17)28(27)35;1-15-8-10-18(11-9-15)29-30-20-13-23(39-4)21(14-22(20)38-3)31-32-26-24(40(35,36)37)12-17-6-5-7-19(28-16(2)33)25(17)27(26)34;;;;;;;;;;;5*1-4(2)3/h6-18,41H,19H2,1-4H3,(H,35,40)(H,44,45,46);5-10,15-17,37-38,40H,11-14H2,1-3H3,(H,31,39)(H,43,44,45);9-17,38H,6-7H2,1-5H3,(H,31,37)(H,41,42,43);7-15,35H,5H2,1-4H3,(H,29,34)(H,38,39,40);6-14,34H,1-4H3,(H,28,33)(H,35,36,37);;;;;;;;;;;;;;;/q5*-1;10*+1;;;;;/p-5/b37-36+,39-38+;2*33-32+,35-34+;31-30+,33-32+;30-29+,32-31+;;;;;;;;;;;;;;;.
What are the key properties of 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)?
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) has a molecular weight of 3944.70 g/mol, XLogP of -5.31, 55 rotatable bonds, 12 hydrogen bond donors, and 80 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 159569090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).