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Reference substances

Reference substances

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General information

Inventory

EC number:
233-311-7
EC name:
Disodium 2,2'-(azodi-p-phenylene)bis[6-methylbenzothiazole-7-sulphonate]
CAS number:
10114-47-3

No inventory information available

Reference substance information

IUPAC name:
disodium 2,2'-(diazene-1,2-diyldi-4,1-phenylene)bis(6-methyl-1,3-benzothiazole-7-sulfonate)
Synonyms
Names:
7-Benzothiazolesulfonic acid, 2,2'-(azodi-4,1-phenylene)bis[6-methyl-, disodium salt
Identifier:
CAS number
10114-47-3

CAS information

CAS number:
10114-47-3

Molecular and structural information

Molecular formula:
C28H20N4O6S4.2Na
Molecular weight:
680.705
SMILES notation:
Cc1ccc2nc(sc2c1S(=O)(=O)O[Na])c3ccc(cc3)N=Nc4ccc(cc4)c5nc6ccc(C)c(c6s5)S(=O)(=O)O[Na]
InChl:
InChI=1/C28H20N4O6S4.2Na/c1-15-3-13-21-23(25(15)41(33,34)35)39-27(29-21)17-5-9-19(10-6-17)31-32-20-11-7-18(8-12-20)28-30-22-14-4-16(2)26(24(22)40-28)42(36,37)38;;/h3-14H,1-2H3,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2/rC28H18N4Na2O6S4/c1-15-3-13-21-23(25(15)43(35,36)39-33)41-27(29-21)17-5-9-19(10-6-17)31-32-20-11-7-18(8-12-20)28-30-22-14-4-16(2)26(24(22)42-28)44(37,38)40-34/h3-14H,1-2H3
Structural formula:
Chemical structure