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General information

Inventory

EC number:
276-704-9
EC name:
Trisodium 5-[[2,4-dihydroxy-5-[[4-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]phenyl]azo]-8-[[4-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]naphthalenesulphonate
CAS number:
72496-92-5

No inventory information available

Reference substance information

IUPAC name:
trisodium 4-[(E)-2-{4-[(4-nitro-2-sulfophenyl)amino]phenyl}diazen-1-yl]-6-[(E)-2-{4-[(E)-2-{4-[(4-nitro-2-sulfophenyl)amino]phenyl}diazen-1-yl]-5-sulfonatonaphthalen-1-yl}diazen-1-yl]benzene-1,3-bis(olate)
Synonyms
Names:
Identifier:
CAS number
72496-92-5
Identifier:
IUPAC name
sodium 5-((E)-(2,4-dihydroxy-5-((E)-(4-(4-nitro-2-sulfonatophenylamino)phenyl)diazenyl)phenyl)diazenyl)-8-((E)-(4-(4-nitro-2-sulfonatophenylamino)phenyl)diazenyl)naphthalene-1-sulfonate
Naphthalenesulfonic acid, 5-[[2,4-dihydroxy-5-[[4-[(4-nitro-2-sulfophenyl)amino]phenyl]azo]phenyl]azo]-8-[[4-[(4-nitro-2-sulfophenyl)amino]phenyl]azo]-, trisodium salt

CAS information

CAS number:
72496-92-5

Molecular and structural information

Molecular formula:
C40H28N10O15S3.3Na
Molecular weight:
1 050.848
SMILES notation:
[Na+].[Na+].[Na+].O=S([O-])(=O)c7cc(ccc7Nc6ccc(/N=N/c5cc(/N=N/c4ccc(/N=N/c2ccc(Nc1ccc(cc1S([O-])(=O)=O)N(=O)=O)cc2)c3c4cccc3S([O-])(=O)=O)c(O)cc5O)cc6)N(=O)=O
InChl:
InChI=1/C40H28N10O15S3.3Na/c51-35-21-36(52)34(20-33(35)47-44-25-10-6-23(7-11-25)42-31-15-13-27(50(55)56)19-39(31)68(63,64)65)48-45-29-16-17-32(40-28(29)2-1-3-37(40)66(57,58)59)46-43-24-8-4-22(5-9-24)41-30-14-12-26(49(53)54)18-38(30)67(60,61)62;;;/h1-21,41-42,51-52H,(H,57,58,59)(H,60,61,62)(H,63,64,65);;;/q;3*+1/p-3/b46-43+,47-44+,48-45+;;;
Structural formula:
Chemical structure