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Reference substances

Reference substances

Currently viewing:
IUPAC name:
aluminium, 6-hydroxy-5-[(2-methoxy-5-methyl-4-sulfophenyl)azo]-2-naphthalenesulfonic acid complex

Inventory

EC number:
271-524-7
EC name:
Aluminium, 6-hydroxy-5-[(2-methoxy-5-methyl-4-sulfophenyl)azo]-2-naphthalenesulfonic acid complex
CAS number:
68583-95-9
Description:
This substance is identified in the Colour Index by Colour Index Constitution Number, C.I. 16035:1.
CAS number:
68583-95-9
Synonyms
Names:
Identifier:
IUPAC name
Aluminium, 6-hydroxy-5-[(2-methoxy-5-methyl-4-sulfophenyl)azo]-2-naphthalenesulfonic acid complex
Identifier:
IUPAC name
Aluminium, 6-hydroxy-5-[(2-methoxy-5-methyl-4-sulfophenyl)azo]-2-naphthalenesulfonic acid complex
Identifier:
IUPAC name
Reaction mass of aluminium hydroxide and aluminium,6-hydroxy-5-[(2-methoxy-5-methyl-4-sulfophenyl)azo]-2-naphthalenesulfonic acid
Identifier:
other: Molecular formula
(C18H14N2O8S2)3Al2
Identifier:
other: InChl
1/C18H16N2O8S2.Al/c1-10-7-14(16(28-2)9-17(10)30(25,26)27)19-20-18-13-5-4-12(29(22,23)24)8-11(13)3-6-15(18)21;/h3-9,21H,1-2H3,(H,22,23,24)(H,25,26,27);/q;+3
Identifier:
other: Molecular formula
C18H16AlN2O8S2
Identifier:
other: Molecular formula
C18H16AlxN2O8S2
Identifier:
other: InChl
InChI=1/C18H16N2O8S2.Al/c1-10-7-14(16(28-2)9-17(10)30(25,26)27)19-20-18-13-5-4-12(29(22,23)24)8-11(13)3-6-15(18)21;/h3-9,21H,1-2H3,(H,22,23,24)(H,25,26,27);/q;+3
Identifier:
other: Molecular formula
Not applicable.
Identifier:
other: SMILES notation
[Al+3].[Al+3].COC1=CC(=C(C)C=C1\N=N\C1=C(O)C=CC2=CC(=CC=C12)S([O-])(=O)=O)S([O-])(=O)=O.COC1=CC(=C(C)C=C1\N=N\C1=C(O)C=CC2=CC(=CC=C12)S([O-])(=O)=O)S([O-])(=O)=O.COC1=CC(=C(C)C=C1\N=N\C1=C(O)C=CC2=CC(=CC=C12)S([O-])(=O)=O)S([O-])(=O)=O

Molecular and structural information

Molecular formula:
C18H17N2O8S2Al1
Molecular weight:
480.45
SMILES notation:
CC1=CC(=C(C=C1S(=O)(=O)O)OC)NN=C2C3=C(C=CC2=O)C=C(C=C3)S(=O)(=O)O.[Al]
InChl:
1S/C18H16N2O8S2.Al/c1-10-7-14(16(28-2)9-17(10)30(25,26)27)19-20-18-13-5-4-12(29(22,23)24)8-11(13)3-6-15(18)21;/h3-9,19H,1-2H3,(H,22,23,24)(H,25,26,27);/b20-18-;
Structural formula:
Chemical structure

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