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Reference substances

Reference substances

Currently viewing:
IUPAC name:
disodium 5-{[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]amino}-2-[(1E)-2-(4-{[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]amino}-2-sulfonatophenyl)ethenyl]benzene-1-sulfonate

Inventory

EC number:
205-117-2
EC name:
Disodium 4,4'-bis[(4,6-dianilino-1,3,5-triazin-2-yl)amino]stilbene-2,2'-disulphonate
CAS number:
133-66-4
CAS number:
133-66-4
Synonyms
Names:
Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[ 5-[[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]amino ]-, disodium salt
Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]amino]-, disodium salt
Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]amino]-, sodium salt (1:2)
Identifier:
IUPAC name
disodium 2,2'-ethene-1,2-diylbis{5-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]benzenesulfonate}
Identifier:
other: Molecular formula
C44H36N12O6S2.2Na
Identifier:
other: SMILES notation
[Na+].[Na+].[O-]S(=O)(=O)c1cc(Nc2nc(Nc3ccccc3)nc(Nc4ccccc4)n2)ccc1\C=C\c5ccc(Nc6nc(Nc7ccccc7)nc(Nc8ccccc8)n6)cc5S(=O)(=O)[O-]
disodium 4,4'-bis[(4,6-dianilino-1,3,5-triazin-2-yl)amino]stilbene-2,2'-disulphonate

Molecular and structural information

Molecular formula:
C38H36N14O8S2Na2
Molecular weight:
926.9
SMILES notation:
C1=C([S]([O-])(=O)=O)C(=CC=C1NC2=NC(=NC(=N2)NC3=CC=CC=C3)NC4=CC=CC=C4)\C=C\C8=CC=C(NC5=NC(=NC(=N5)NC6=CC=CC=C6)NC7=CC=CC=C7)C=C8[S]([O-])(=O)=O.[Na+].[Na+]
InChl:
InChI=1/C44H36N12O6S2.2Na/c57-63(58,59)37-27-35(49-43-53-39(45-31-13-5-1-6-14-31)51-40(54-43)46-32-15-7-2-8-16-32)25-23-29(37)21-22-30-24-26-36(28-38(30)64(60,61)62)50-44-55-41(47-33-17-9-3-10-18-33)52-42(56-44)48-34-19-11-4-12-20-34;;/h1-28H,(H,57,58,59)(H,60,61,62)(H3,45,46,49,51,53,54)(H3,47,48,50,52,55,56);;/q;2*+1/p-2
Structural formula:
Chemical structure

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