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Reference substances

Reference substances

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General information

Inventory

EC number:
225-935-3
EC name:
Barium bis[2-chloro-5-[(2-hydroxy-1-naphthyl)azo]toluene-4-sulphonate]
CAS number:
5160-02-1

No inventory information available

Reference substance information

IUPAC name:
barium(2+) bis(5-chloro-2-[(E)-2-(2-hydroxynaphthalen-1-yl)diazen-1-yl]-4-methylbenzene-1-sulfonate)
Synonyms
Names:
Benzenesulfonic acid, 5-chloro-2-((2-hydroxy-1-naphthalenyl)azo)-4-methyl-, barium salt (2:1)
Benzenesulfonic acid, 5-chloro-2-[(2-hydroxy-1- naphthalenyl)azo]-4-methyl-, barium salt (2:1)
Benzenesulfonic acid, 5-chloro-2-[(2-hydroxy-1-naphthalenyl)azo]-4-methyl-, barium salt (2:1)
Identifier:
CAS number
5160-02-1
Identifier:
IUPAC name
Barium bis{5-chloro-2-[(2-hydroxy-1-naphthyl)diazenyl]-4-methylbenzenesulfonate}
Identifier:
IUPAC name
barium bis{5-chloro-2-[(2-hydroxy-1-naphthyl) diazenyl]-4-methylbenzenesulfonate}
Identifier:
other: InChl
InChI=1S/2C17H13ClN2O4S.Ba/c2*1-10-8-14(16(9-13(10)18)25(22,23)24)19-20-17-12-5-3-2-4-11(12)6-7-15(17)21;/h2*2-9,21H,1H3,(H,22,23,24);/q;;+2/p-2/b2*20-19+;
Identifier:
other: SMILES notation
[Ba++].Cc1cc(\N=N\c2c(O)ccc3ccccc23)c(cc1Cl)S([O-])(=O)=O.Cc1cc(\N=N\c2c(O)ccc3ccccc23)c(cc1Cl)S([O-])(=O)=O
barium bis{5-chloro-2-[(2-hydroxy-1-naphthyl)diazenyl]-4-methylbenzenesulfonate}

CAS information

CAS number:
5160-02-1

Molecular and structural information

Molecular formula:
C17H13ClN2O4S.1/2Ba
Molecular weight:
888.939
SMILES notation:
[Ba+2].Cc3cc(N=Nc1c2ccccc2ccc1O)c(cc3Cl)S([O-])(=O)=O.[O-]S(=O)(=O)c3cc(Cl)c(C)cc3N=Nc1c2ccccc2ccc1O
InChl:
InChI=1/2C17H13ClN2O4S.Ba/c2*1-10-8-14(16(9-13(10)18)25(22,23)24)19-20-17-12-5-3-2-4-11(12)6-7-15(17)21;/h2*2-9,21H,1H3,(H,22,23,24);/q;;+2/p-2
Structural formula:
Chemical structure