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Reference substances

Reference substances

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General information

Inventory

EC number:
235-546-0
EC name:
2-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium methyl sulphate
CAS number:
12270-13-2

No inventory information available

Reference substance information

IUPAC name:
2-({4-[ethyl(2-hydroxyethyl)amino]phenyl}diazenyl)-6-methoxy-3-methyl-1,3-benzothiazol-3-ium methyl sulfate
Synonyms
Names:
Benzothiazolium, 2-[[4-[ethyl(2-hydroxyethyl) amino]phenyl]azo]-6-methoxy-3-methyl-, methyl sulfate (salt)
Benzothiazolium, 2-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]azo]-6-methoxy-3-methyl-, methyl sulfate (salt)

CAS information

CAS number:
12270-13-2

Molecular and structural information

Molecular formula:
C19H23N4O2S.CH3O4S
Molecular weight:
482.574
SMILES notation:
[O-]S(=O)(=O)OC.CCN(CCO)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC
InChl:
InChI=1/C19H23N4O2S.CH4O4S/c1-4-23(11-12-24)15-7-5-14(6-8-15)20-21-19-22(2)17-10-9-16(25-3)13-18(17)26-19;1-5-6(2,3)4/h5-10,13,24H,4,11-12H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1
Structural formula:
Chemical structure