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Reference substances

Currently viewing:
IUPAC name:
trisodium bis[2-[[2,4-dihydroxy-3-[(2-methyl-4-sulphophenyl)azo]phenyl]azo]benzoato(3-)]chromate(3-)

Inventory

EC number:
278-145-6
EC name:
Trisodium bis[2-[[2,4-dihydroxy-3-[(2-methyl-4-sulphophenyl)azo]phenyl]azo]benzoato(3-)]chromate(3-)
CAS number:
75234-41-2
CAS number:
75234-41-2
Synonyms
Names:
Identifier:
IUPAC name
Trisodium bis[2-[[2,4-dihydroxy-3-[(2-methyl-4-sulphophenyl)azo]phenyl]azo]benzoato(3-)]chromate(3-)
Identifier:
IUPAC name
trisodium bis[2-[[2,4-dihydroxy-3-[(2-methyl-4- sulphophenyl)azo]phenyl]azo] benzoato(3-)]chromate(3-)
Identifier:
IUPAC name
trisodium bis[2-[[2,4-dihydroxy-3-[(2-methyl-4-sulphophenyl)azo]phenyl]azo]benzoato(3-)]chromate(3-)
Identifier:
other: Molecular formula
C40H26CrN8Na3O14S2
Identifier:
other: Molecular formula
C40H26CrN8O14S2.3Na
Identifier:
other: Molecular formula
C40H26O14N8Na3S2Cr
Identifier:
other: SMILES notation
[Cr+3].[Na+].[Na+].[Na+].O=S([O-])(=O)c3cc(C)c(/N=N/c2ccc(O)c(/N=N/c1ccccc1C([O-])=O)c2[O-])cc3.[O-]C(=O)c3ccccc3/N=N/c2c([O-])ccc(/N=N/c1ccc(cc1C)S([O-])(=O)=O)c2O

Molecular and structural information

Molecular formula:
C40H26CrN8O14S2.3Na
Molecular weight:
ca. 1 027.7
SMILES notation:
[Na+].CC1=CC(=CC=C1\N=N\C1=C(O)C=CC2=C1[O-][Cr+3]1345[O-]C(=O)C6=CC=CC=C6[N]1=N2)S(=O)(=O)O[Na].CC1=CC(=CC=C1\N=N\C1=C(O)C=CC(N=[N]3C2=CC=CC=C2C(=O)[O-]4)=C1[O-]5)S(=O)(=O)O[Na]
InChl:
1S/2C20H16N4O7S.Cr.3Na/c2*1-11-10-12(32(29,30)31)6-7-14(11)21-23-16-8-9-17(25)18(19(16)26)24-22-15-5-3-2-4-13(15)20(27)28;;;;/h2*2-10,25-26H,1H3,(H,27,28)(H,29,30,31);;;;/q;;+3;3*+1/p-6/b2*23-21+,24-22+;;;;
Structural formula:
Chemical structure

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