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Reference substances

Reference substances

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IUPAC name:
disodium 4,4'-bis[6-anilino-[4-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate

Inventory

EC number:
224-073-5
EC name:
Disodium 4,4'-bis[6-anilino-[4-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate
CAS number:
4193-55-9
CAS number:
4193-55-9
Synonyms
Names:
Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[ 5-[[4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1 ,3,5-triazin-2-yl]amino]-, disodium salt
Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, disodium salt

Molecular and structural information

Molecular formula:
C40H42N12Na2O10S2
Molecular weight:
960.23
SMILES notation:
OCCN(CCO)c1nc(Nc2ccccc2)nc(Nc3ccc(\C=C\c4ccc(Nc5nc(Nc6ccccc6)nc(n5)N(CCO)CCO)cc4S(=O)(=O)O[Na])c(c3)S(=O)(=O)O[Na])n1
InChl:
InChI=1S/C40H44N12O10S2.2Na/c53-21-17-51(18-22-54)39-47-35(41-29-7-3-1-4-8-29)45-37(49-39)43-31-15-13-27(33(25-31)63(57,58)59)11-12-28-14-16-32(26-34(28)64(60,61)62)44-38-46-36(42-30-9-5-2-6-10-30)48-40(50-38)52(19-23-55)20-24-56;;/h1-16,25-26,53-56H,17-24H2,(H,57,58,59)(H,60,61,62)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;/q;2*+1/p-2/b12-11+;
Structural formula:
Chemical structure

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