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Reference substances

Currently viewing:
IUPAC name:
sodium(E)-6,7'-carbonylbis(azanediyl)bis(3-((E)-(4-acetamidophenyl)diazienyl)-4-hydroxynaphtalene-2-sulphonate)

Inventory

EC number:
255-264-1
EC name:
Disodium 7,7'-(carbonyldiimino)bis[3-[[4-(acetylamino)phenyl]azo]-4-hydroxynaphthalene-2-sulphonate]
CAS number:
41204-67-5
CAS number:
41204-67-5
Synonyms
Names:
2-Naphthalenesulfonic acid, 7,7'-(carbonyldiimino)bis[ 3-[[4-(acetylamino)phenyl]azo]-4-hydroxy-, disodium salt
2-Naphthalenesulfonic acid, 7,7'-(carbonyldiimino)bis[3-[[4-(acetylamino)phenyl]azo]-4-hydroxy-, disodium salt
Identifier:
IUPAC name
disodium 3-[(4-acetamidophenyl)diazenyl]-7-[({6-[(4-acetamidophenyl)diazenyl]-5-hydroxy-7-sulfonato-2-naphthyl}carbamoyl)amino]-4-hydroxynaphthalene-2-sulfonate
Identifier:
other: InChl
1S/C37H30N8O11S2.2Na/c1-19(46)38-23-3-7-25(8-4-23)42-44-33-31(57(51,52)53)17-21-15-27(11-13-29(21)35(33)48)40-37(50)41-28-12-14-30-22(16-28)18-32(58(54,55)56)34(36(30)49)45-43-26-9-5-24(6-10-26)39-20(2)47;;/h3-18,48-49H,1-2H3,(H,38,46)(H,39,47)(H2,40,41,50)(H,51,52,53)(H,54,55,56);;/q;2*+1
Identifier:
other: Molecular formula
C37H30N8O11S2.2Na
Identifier:
other: SMILES notation
S(=O)(c1cc2cc(ccc2c(c1\N=N/c1ccc(NC(C)=O)cc1)O)NC(Nc1cc2c(cc1)c(O)c(\N=N/c1ccc(NC(C)=O)cc1)c(c2)S(O)(=O)=O)=O)(=O)O.[Na+].[Na+]

Molecular and structural information

Molecular formula:
C37H28N8O11S2.2Na
Molecular weight:
870.77
SMILES notation:
[Na+].[Na+].CC(=O)Nc1ccc(cc1)N=Nc3c(cc2cc(ccc2c3O)NC(=O)Nc4ccc6c(c4)cc(c(N=Nc5ccc(NC(C)=O)cc5)c6O)S([O-])(=O)=O)S([O-])(=O)=O
InChl:
InChI=1/C37H30N8O11S2.2Na/c1-19(46)38-23-3-7-25(8-4-23)42-44-33-31(57(51,52)53)17-21-15-27(11-13-29(21)35(33)48)40-37(50)41-28-12-14-30-22(16-28)18-32(58(54,55)56)34(36(30)49)45-43-26-9-5-24(6-10-26)39-20(2)47;;/h3-18,48-49H,1-2H3,(H,38,46)(H,39,47)(H2,40,41,50)(H,51,52,53)(H,54,55,56);;/q;2*+1/p-2
Structural formula:
Chemical structure

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