Registration Dossier

Reference substances

Reference substances

Currently viewing:

General information

Inventory

EC number:
274-427-8
EC name:
Tetrasodium 8-[[4-[(4-amino-3-sulphonatophenyl)azo]-6-sulphonatonaphthyl]azo]-5-[[6-(benzoylamino)-1-hydroxy-3-sulphonato-2-naphthyl]azo]naphthalene-2-sulphonate
CAS number:
70210-31-0

No inventory information available

Reference substance information

IUPAC name:
tetrasodium 3-{[4-({4-[(4-amino-3-sulfonatophenyl)diazenyl]-6-sulfonato-1-naphthyl}diazenyl)-6-sulfonato-1-naphthyl]diazenyl}-7-(benzoylamino)-4-hydroxynaphthalene-2-sulfonate
Synonyms
Names:
2-Naphthalenesulfonic acid, 8-[[4-[(4-amino-3-sulfophenyl)azo]-6-sulfo-1-naphthalenyl]azo]-5-[[6-(benzoylamino)-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-, tetrasodium salt
Identifier:
CAS number
70210-31-0
Identifier:
IUPAC name
sodium 3-((E)-(4-((E)-(4-((E)-(4-amino-3-sulfonatophenyl)diazenyl)-6-sulfonatonaphthalen-1-yl)diazenyl)-6-sulfonatonaphthalen-1-yl)diazenyl)-7-benzamido-4-hydroxynaphthalene-2-sulfonate
Identifier:
other: SMILES notation
C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)C(=O)C(=NNC4=C5C=CC(=CC5=C(C=C4)N=NC6=C7C=CC(=CC7=C(C=C6)N=NC8=CC(=C(C=C8)N)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])C(=C3)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

CAS information

CAS number:
70210-31-0

Molecular and structural information

Molecular formula:
C43H30N8O14S4.4Na
Molecular weight:
1 098.931
SMILES notation:
[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(ccc1N)N=Nc8ccc(N=Nc6ccc(N=Nc3c(cc2cc(ccc2c3O)NC(=O)c4ccccc4)S([O-])(=O)=O)c5ccc(cc56)S([O-])(=O)=O)c7ccc(cc78)S([O-])(=O)=O
InChl:
InChI=1/C43H30N8O14S4.4Na/c44-34-13-7-26(20-39(34)68(60,61)62)46-47-37-16-14-35(30-11-8-27(21-32(30)37)66(54,55)56)48-49-38-17-15-36(31-12-9-28(22-33(31)38)67(57,58)59)50-51-41-40(69(63,64)65)19-24-18-25(6-10-29(24)42(41)52)45-43(53)23-4-2-1-3-5-23;;;;/h1-22,52H,44H2,(H,45,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65);;;;/q;4*+1/p-4
Structural formula:
Chemical structure