7-Hydroxy-8-[[4-(6-methyl[2,6'-bibenzothiazol]-2'-yl)-2-sulfophenyl]azo]naphthalene-1,3-disulfonic acid,sodium salt

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Catalog Number
ACM93940206
Product Name
7-Hydroxy-8-[[4-(6-methyl[2,6'-bibenzothiazol]-2'-yl)-2-sulfophenyl]azo]naphthalene-1,3-disulfonic acid,sodium salt
Structure
Structure
CAS
93940-20-6
Category
Heterocyclic Organic Compound
Synonyms
EINECS 300-413-9, 7-Hydroxy-8-((4-(6-methyl(2,6-bibenzothiazol)-2-yl)-2-sulphophenyl)azo)naphthalene-1,3-disulphonic acid, sodium salt, 93940-20-6
IUPAC Name
trisodium (8Z)-8-[[4-[6-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-yl]-2-sulfonatophenyl]hydrazinylidene]-7-oxonaphthalene-1,3-disulfonate
Molecular Weight
834.781790 [g/mol]
Molecular Formula
C31H17N4Na3O10S5
Canonical SMILES
CC1=CC2=C(C=C1)N=C(S2)C3=CC4=C(C=C3)N=C(S4)C5=CC(=C(C=C5)NN=C6C(=O)C=CC7=CC(=CC(=C76)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
InChI Key
XZSQFJUYWVJZIZ-RYUCSQAISA-K
EC Number
300-413-9
Exact Mass
833.92400
H-Bond Acceptor
14
H-Bond Donor
1
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