Registration Dossier

General information

Inventory

EC number:
229-158-0
EC name:
Tetrasodium 3,3'-[carbonylbis[imino(5-methoxy-2-methyl-4,1-phenylene)azo]]bis(naphthalene-1,5-disulphonate)
CAS number:
6420-33-3

No inventory information available

Reference substance information

IUPAC name:
tetrasodium 3-[(E)-2-{4-[({4-[(E)-2-(4,8-disulfonaphthalen-2-yl)diazen-1-yl]-2-methoxy-5-methylphenyl}carbamoyl)amino]-5-methoxy-2-methylphenyl}diazen-1-yl]naphthalene-1,5-disulfonate
Synonyms
Names:
1,5-Naphthalenedisulfonic acid, 3,3'-[carbonylbis[imino(5- methoxy-2-methyl-4,1-phenylene)azo]]bis-, tetrasodium salt
1,5-Naphthalenedisulfonic acid, 3,3'-[carbonylbis[imino(5-methoxy-2-methyl-4,1-phenylene)azo]]bis-, tetrasodium salt
Identifier:
CAS number
6420-33-3
Identifier:
IUPAC name
: tetrasodium 3-({4-[({4-[(4,8-disulfonato-2-naphthyl)diazenyl]-2-methoxy-5-methylphenyl}carbamoyl)amino]-5-methoxy-2-methylphenyl}diazenyl)naphthalene-1,5-disulfonate
Identifier:
other: Molecular formula
C37H32N6O15S4.4Na
Identifier:
other: SMILES notation
CC1=CC(=C(C=C1N=NC2=CC(=C3C=CC=C(C3=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])OC)NC(=O)NC4=C(C=C(C(=C4)C)N=NC5=CC(=C6C=CC=C(C6=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])OC.[Na+].[Na+].[Na+].[Na+]
Identifier:
other: SMILES notation
COc1cc(\N=N\c2cc(c3cccc(c3c2)S(=O)(=O)O[Na])S(=O)(=O)O[Na])c(C)cc1NC(=O)Nc4cc(C)c(cc4OC)\N=N\c5cc(c6cccc(c6c5)S(=O)(=O)O[Na])S(=O)(=O)O[Na]
Identifier:
other: InChl
InChI=1S/C37H32N6O15S4.4Na/c1-19-11-29(31(57-3)17-27(19)42-40-21-13-25-23(35(15-21)61(51,52)53)7-5-9-33(25)59(45,46)47)38-37(44)39-30-12-20(2)28(18-32(30)58-4)43-41-22-14-26-24(36(16-22)62(54,55)56)8-6-10-34(26)60(48,49)50;;;;/h5-18H,1-4H3,(H2,38,39,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;/q;4*+1/p-4/b42-40+,43-41+;;;;
tetrasodium 3-({4-[({4-[(4,8-disulfonato-2-naphthyl)diazenyl]-2-methoxy-5-methylphenyl}carbamoyl)amino]-5-methoxy-2-methylphenyl}diazenyl)naphthalene-1,5-disulfonate

CAS information

CAS number:
6420-33-3

Molecular and structural information

Molecular formula:
C37H28N6Na4O15S4
Molecular weight:
1 016.88
SMILES notation:
[Na+].[Na+].[Na+].[Na+].COc6cc(N=Nc2cc1c(cccc1c(c2)S([O-])(=O)=O)S([O-])(=O)=O)c(C)cc6NC(=O)Nc5cc(C)c(N=Nc4cc3c(cccc3c(c4)S([O-])(=O)=O)S([O-])(=O)=O)cc5OC
InChl:
InChI=1/C37H32N6O15S4.4Na/c1-19-11-29(31(57-3)17-27(19)42-40-21-13-25-23(35(15-21)61(51,52)53)7-5-9-33(25)59(45,46)47)38-37(44)39-30-12-20(2)28(18-32(30)58-4)43-41-22-14-26-24(36(16-22)62(54,55)56)8-6-10-34(26)60(48,49)50;;;;/h5-18H,1-4H3,(H2,38,39,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;/q;4*+1/p-4
Structural formula:
Chemical structure