Registration Dossier

General information

Inventory

EC number:
279-093-7
EC name:
Trisodium 4-amino-5-hydroxy-3-[[4-[[2-oxo-1-[(phenylamino)carbonyl]propyl]azo]phenyl]azo]-6-[(4-sulphonato-1-naphthyl)azo]naphthalene-2,7-disulphonate
CAS number:
79135-92-5

No inventory information available

Reference substance information

IUPAC name:
trisodium 4-amino-5-hydroxy-3-[(E)-2-{4-[(E)-2-[2-oxo-1-(phenylcarbamoyl)propyl]diazen-1-yl]phenyl}diazen-1-yl]-6-[(E)-2-(4-sulfonaphthalen-1-yl)diazen-1-yl]naphthalene-2,7-disulfonate
Synonyms
Names:
Identifier:
CAS number
79135-92-5
Identifier:
IUPAC name
trisodium 4-amino-5-hydroxy-3-[(E)-2-{4-[(E)-2-[2-oxo-1-(phenylcarbamoyl)propyl]diazen-1-yl]phenyl}diazen-1-yl]-6-[(E)-2-(4-sulfonatonaphthalen-1-yl)diazen-1-yl]naphthalene-2,7-disulfonate
Identifier:
other: Molecular formula
C36H28N8O12S3.3Na
Trisodium 4-amino-5-hydroxy-3-[[4-[[2-oxo-1-[(phenylamino)carbonyl]propyl]azo]phenyl]azo]-6-[(4-sulphonato-1-naphthyl)azo]naphthalene-2,7-disulphonate

CAS information

CAS number:
79135-92-5

Molecular and structural information

Molecular formula:
C36H25N8Na3O12S3
Molecular weight:
926.79
SMILES notation:
CC(=O)C(C(=O)NC1=CC=CC=C1)N=NC2=CC=C(C=C2)N=NC3=C(C=C4C=C(C(=NNC5=CC=C(C6=CC=CC=C65)S(=O)(=O)[O-])C(=O)C4=C3N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
InChl:
1S/C36H28N8O12S3.3Na/c1-19(45)32(36(47)38-21-7-3-2-4-8-21)42-39-22-11-13-23(14-12-22)40-43-33-28(58(51,52)53)17-20-18-29(59(54,55)56)34(35(46)30(20)31(33)37)44-41-26-15-16-27(57(48,49)50)25-10-6-5-9-24(25)26;;;/h2-18,32,41H,37H2,1H3,(H,38,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;/q;3*+1/p-3
Structural formula:
Chemical structure