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Reference substances

Reference substances

Currently viewing:
IUPAC name:
barium 4-[(5-chloro-4-methyl-2-sulfonatophenyl)diazenyl]-3-hydroxy-2-naphthoate

Inventory

EC number:
231-494-8
EC name:
Barium 4-[(5-chloro-4-methyl-2-sulphonatophenyl)azo]-3-hydroxy-2-naphthoate
CAS number:
7585-41-3
CAS number:
7585-41-3
Synonyms
Names:
2-Naphthalenecarboxylic acid, 4-[(5-chloro-4-methyl-2-sulfophenyl) azo]-3-hydroxy-, barium salt (1:1)
2-Naphthalenecarboxylic acid, 4-[(5-chloro-4-methyl-2-sulfophenyl)azo]-3-hydroxy-, barium salt (1:1)
Identifier:
IUPAC name
barium 4-[(5-chloro-4-methyl-2-sulfonatophenyl) diazenyl]-3-hydroxy-2-naphthoate
Identifier:
IUPAC name
barium(2+) ion 4-[(E)-2-(5-chloro-4-methyl-2-sulfonatophenyl)diazen-1-yl]-3-hydroxynaphthalene-2-carboxylate
Identifier:
other: InChl
InChI=1S/C18H13ClN2O6S.Ba/c1-9-6-15(28(25,26)27)14(8-13(9)19)20-21-16-11-5-3-2-4-10(11)7-12(17(16)22)18(23)24;/h2-8,22H,1H3,(H,23,24)(H,25,26,27);/q;+2/p-2/b21-20+;
Identifier:
other: SMILES notation
c12c(N=Nc3cc(c(C)cc3S(=O)(=O)[O-])Cl)c(c(C(=O)[O-])cc1cccc2)O.[Ba+2]

Molecular and structural information

Molecular formula:
C18H13ClN2O6S.Ba
Molecular weight:
556.135
SMILES notation:
[Ba+2].Cc1cc(c(cc1Cl)N=Nc2c3ccccc3cc(C([O-])=O)c2O)S([O-])(=O)=O
InChl:
InChI=1/C18H13ClN2O6S.Ba/c1-9-6-15(28(25,26)27)14(8-13(9)19)20-21-16-11-5-3-2-4-10(11)7-12(17(16)22)18(23)24;/h2-8,22H,1H3,(H,23,24)(H,25,26,27);/q;+2/p-2
Structural formula:
Chemical structure

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