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Reference substances

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IUPAC name:
NA

Inventory

EC number:
222-111-5
EC name:
Sodium 8-phenylamino-5-(4-(3-sulphonatophenylazo)-1-naphthylazo)naphthalenesulphonate
CAS number:
3351-05-1
CAS number:
3351-05-1
Synonyms
Names:
1-Naphthalenesulfonic acid, 8-(phenylamino)-5-??4-?(3-sulfophenyl)azo?-1-naphthalenyl?azo?-, disodium salt
1-Naphthalenesulfonic acid, 8-(phenylamino)-5-[[4-[(3- sulfophenyl)azo]-1-naphthalenyl]azo]-, disodium salt
1-Naphthalenesulfonic acid, 8-(phenylamino)-5-[[4-[(3-sulfophenyl)azo]-1-naphthalenyl]azo]-, disodium salt
Identifier:
IUPAC name
1-Naphthalenesulfonic acid, 8-(phenylamino)-5-[2-[4-[2-(3-sulfophenyl)diazenyl]-1-naphthalenyl]diazenyl]-, sodium salt (1:2)
Identifier:
IUPAC name
Disodium 8-phenylamino-5-[4-(3-sulfonatophenylazo)-1-naphthylazo]naphthalene-1-sulfonate
Identifier:
IUPAC name
disodium 8-(phenylamino)-5-[(E)-2-{4-[(E)-2-(3-sulfonatophenyl)diazen-1-yl]naphthalen-1-yl}diazen-1-yl]naphthalene-1-sulfonate
Identifier:
IUPAC name
disodium 8-(phenylamino)-5-[(E)-2-{4-[(E)-2-(3-sulfophenyl)diazen-1-yl]naphthalen-1-yl}diazen-1-yl]naphthalene-1-sulfonate
Identifier:
IUPAC name
disodium 8-anilino-5-({4-[(3-sulfonatophenyl)diazenyl]-1-naphthyl}diazenyl)naphthalene-1-sulfonate
Identifier:
Colour Index
Acid Blue 113
Identifier:
other: Molecular formula
C32H21N5Na2O6S2
Identifier:
other: Molecular formula
C32H21Na2N5O6S2
Identifier:
other: Molecular formula
C32H23N5O6S2.2Na
Identifier:
other: InChl
InChI=1S/C32H23N5O6S2.2Na/c38-44(39,40)23-11-6-10-22(20-23)34-35-27-16-17-28(25-13-5-4-12-24(25)27)36-37-29-18-19-30(33-21-8-2-1-3-9-21)32-26(29)14-7-15-31(32)45(41,42)43;;/h1-20,33H,(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2/b35-34+,37-36+;;
Identifier:
other: SMILES notation
[Na+].[Na+].O=S([O-])(=O)c6cc(/N=N/c5ccc(/N=N/c3ccc(Nc1ccccc1)c2c3cccc2S([O-])(=O)=O)c4ccccc45)ccc6
Identifier:
other: SMILES notation
[Na+].[Na+].[O-]S(=O)(=O)C1=CC(=CC=C1)\N=N\C1=C2C=CC=CC2=C(C=C1)\N=N/C1=C2C=CC=C(C2=C(NC2=CC=CC=C2)C=C1)S([O-])(=O)=O
disodium 8-(phenylamino)-5-((E)-(4-((E)-(3-sulfonatophenyl)diazenyl)naphthalen-1-yl)diazenyl)naphthalene-1-sulfonate

Molecular and structural information

Molecular formula:
C32H23N5O6S2.2Na
Molecular weight:
ca. 681.65
SMILES notation:
[Na+].[Na+].[O-]S(=O)(=O)c1cccc6c1c(Nc2ccccc2)ccc6N=Nc5ccc(N=Nc3cccc(c3)S([O-])(=O)=O)c4ccccc45
InChl:
InChI=1/C32H23N5O6S2.2Na/c38-44(39,40)23-11-6-10-22(20-23)34-35-27-16-17-28(25-13-5-4-12-24(25)27)36-37-29-18-19-30(33-21-8-2-1-3-9-21)32-26(29)14-7-15-31(32)45(41,42)43;;/h1-20,33H,(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2
Structural formula:
Chemical structure

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