Registration Dossier
Registration Dossier
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EC number: 224-073-5 | CAS number: 4193-55-9
Reference substances
- IUPAC name:
- 2,2'-ethene-1,2-diylbis[5-({4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonic acid]
Inventory
- EC number:
- 224-548-7
- EC name:
- 4,4'-bis[4-[bis(2-hydroxyethyl)amino]-6-anilino-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonic acid
- CAS number:
- 4404-43-7
- CAS number:
- 4404-43-7
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]-
- Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-
- Identifier:
- other: InChl
- 1S/C40H44N12O10S2/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)/b12-11+
- Identifier:
- other: SMILES notation
- c1(nc(Nc2cc(c(\C=C\c3c(cc(Nc4nc(N(CCO)CCO)nc(n4)Nc4ccccc4)cc3)S(O)(=O)=O)cc2)S(O)(=O)=O)nc(n1)Nc1ccccc1)N(CCO)CCO
Molecular and structural information
- Molecular formula:
- C40H44N12O10S2
- Molecular weight:
- 916.982
- SMILES notation:
- OCCN(CCO)c1nc(Nc2ccccc2)nc(Nc3ccc(\C=C\c4ccc(Nc5nc(Nc6ccccc6)nc(n5)N(CCO)CCO)cc4S(=O)(=O)O)c(c3)S(=O)(=O)O)n1
- InChl:
- InChI=1/C40H44N12O10S2/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)
- Structural formula:
Related substances
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