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Reference substances

Reference substances

Currently viewing:
IUPAC name:
disodium 7-{[4-chloro-6-(dodecylamino)-1,3,5-triazin-2-yl]amino}-4-hydroxy-3-(2-{4-[2-(4-sulfophenyl)diazen-1-yl]phenyl}diazen-1-yl)naphthalene-2-sulfonate

Inventory

EC number:
415-510-2
EC name:
-
CAS number:
-
Description:
RED GS 3848
CAS number:
145703-76-0
Synonyms
Names:
Identifier:
other: Molecular formula
Hill formula: C37 H40 Cl N9 Na2 O7 S2 CAS formula: C37 H42 Cl N9 O7 S2 x 2 Na
Identifier:
other: SMILES notation
[Na+].[Na+].CCCCCCCCCCCCNC1=NC(=NC(=N1)Cl)NC2=CC=C3C(=C(N=NC4=CC=C(C=C4)N=NC5=CC=C(C=C5)[S]([O-])(=O)=O)C(=CC3=C2)[S]([O-])(=O)=O)O
disodium 7-{[4-chloro-6-(dodecylamino)-1,3,5-triazin-2-yl]amino}-4-hydroxy-3-[{4-[(4-sulfonatophenyl)diazen-1-yl]phenyl}diazen-1-yl]naphthalene-2-sulfonate

Molecular and structural information

Molecular formula:
C37H40ClN9Na2O7S2
Molecular weight:
ca. 868.33
SMILES notation:
[Na+].[Na+].Clc5nc(Nc3cc4cc(c(/N=N/c2ccc(/N=N/c1ccc(cc1)S([O-])(=O)=O)cc2)c(O)c4cc3)S([O-])(=O)=O)nc(NCCCCCCCCCCCC)n5
InChl:
InChI=1S/C37H42ClN9O7S2.2Na/c1-2-3-4-5-6-7-8-9-10-11-22-39-36-41-35(38)42-37(43-36)40-29-18-21-31-25(23-29)24-32(56(52,53)54)33(34(31)48)47-46-27-14-12-26(13-15-27)44-45-28-16-19-30(20-17-28)55(49,50)51;;/h12-21,23-24,48H,2-11,22H2,1H3,(H,49,50,51)(H,52,53,54)(H2,39,40,41,42,43);;/q;2*+1/p-2/b45-44+,47-46+;;
Structural formula:
Chemical structure

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