Registration Dossier

Reference substances

Reference substances

Currently viewing:

General information

Inventory

EC number:
277-155-8
EC name:
Disodium 8-[[4-[[(4-methylphenyl)sulphonyl]oxy]phenyl]azo]-5-[[4-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]naphthalene-1-sulphonate
CAS number:
72968-81-1

No inventory information available

Reference substance information

IUPAC name:
disodium 8-[(E)-2-{4-[(4-methylbenzenesulfonyl)oxy]phenyl}diazen-1-yl]-5-[(E)-2-{4-[(4-nitro-2-sulfophenyl)amino]phenyl}diazen-1-yl]naphthalene-1-sulfonate
Synonyms
Names:
Identifier:
CAS number
72968-81-1
Identifier:
IUPAC name
disodium 8-[[4-[[(4-methylphenyl)sulphonyl]oxy]phenyl]azo]-5-[[4-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]naphthalene-1-sulphonate
Identifier:
other: Molecular formula
C35H26N6O11S3.2Na
5-[(1E)-2-{4-[(4-methylbenzenesulfonyl)oxy]phenyl}diazen-1-yl]-8-[(1E)-2-{4-[(4-nitro-2-sulfophenyl)amino]phenyl}diazen-1-yl]naphthalene-2-sulfonate

CAS information

CAS number:
72968-81-1

Molecular and structural information

Molecular formula:
C35H26N6O11S3.2Na
Molecular weight:
846.773
SMILES notation:
[Na+].[Na+].O=S([O-])(=O)c1cc(ccc1Nc1ccc(/N=N/c2ccc(/N=N/c3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)c3cc(ccc32)S([O-])(=O)=O)cc1)N(=O)=O
InChl:
InChI=1S/C35H26N6O11S3.2Na/c1-22-2-13-28(14-3-22)55(50,51)52-27-11-8-25(9-12-27)38-40-33-19-18-32(30-16-15-29(21-31(30)33)53(44,45)46)39-37-24-6-4-23(5-7-24)36-34-17-10-26(41(42)43)20-35(34)54(47,48)49;;/h2-21,36H,1H3,(H,44,45,46)(H,47,48,49);;/q;2*+1/p-2/b39-37+,40-38+;;
Structural formula:
Chemical structure