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EC number: 275-108-6 | CAS number: 71002-20-5
Reference substances
- IUPAC name:
- octasodium 3-({4-chloro-6-[(4-{[4-chloro-6-({8-[(1E)-2-(1,5-disulfonatonaphthalen-2-yl)diazen-1-yl]-1-hydroxy-3,6-disulfonatonaphthalen-2-yl}amino)-1,3,5-triazin-2-yl]amino}phenyl)amino]-1,3,5-triazin-2-yl}amino)-5-[(1E)-2-(1,5-disulfonatonaphthalen-2-yl)diazen-1-yl]-4-hydroxynaphthalene-2,7-disulfonate
Inventory
- EC number:
- 275-108-6
- EC name:
- Octasodium 2,2'-[1,4-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(1-hydroxy-3,6-disulphonatonaphthalene-2,8-diyl)azo]]bisnaphthalene-1,5-disulphonate
- CAS number:
- 71002-20-5
- CAS number:
- 71002-20-5
Synonyms
- Names:
- 1,5-Naphthalenedisulfonic acid, 2,2'-[1,4-phenylenebis[imino( 6-chloro-1,3,5-triazine-4,2-diyl)imino(1-hydroxy -3,6-disulfo-8,2-naphthalenediyl)azo]]bis-, octasodium salt
- 1,5-Naphthalenedisulfonic acid, 2,2'-[1,4-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(8-hydroxy-3,6-disulfo-1,7-naphthalenediyl)azo]]bis-, octasodium salt
- Identifier:
- IUPAC name
- Octasodium 2,2'-[1,4-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(1-hydroxy-3,6-disulphonatonaphthalene-2,8-diyl)azo]]bisnaphthalene-1,5-disulphonate
- Identifier:
- IUPAC name
- octasodium 2,2'-{1,4-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(8-hydroxy-3,6-disulfonatonaphthalene-7,1-diyl)diazene-2,1-diyl]}dinaphthalene-1,5-disulfonate
- Identifier:
- IUPAC name
- sodium 2,2'-(1E,1'E)-(8,8'-(6,6'-(1,4-phenylenebis(azanediyl))bis(4-chloro-1,3,5-triazine-6,2-diyl))bis(azanediyl)bis(1-hydroxy-3,6-disulfonatonaphthalene-8,2-diyl))bis(diazene-2,1-diyl)dinaphthalene-1,5-disulfonate
- Identifier:
- other: Molecular formula
- C52H34Cl2N14O26S8.8Na
- Identifier:
- other: InChl
- InChI=1S/C52H34Cl2N14O26S8.8Na/c53-47-59-49(63-51(61-47)57-41-37(99(83,84)85)17-21-15-25(95(71,72)73)19-33(39(21)43(41)69)67-65-31-13-11-27-29(45(31)101(89,90)91)3-1-5-35(27)97(77,78)79)55-23-7-9-24(10-8-23)56-50-60-48(54)62-52(64-50)58-42-38(100(86,87)88)18-22-16-26(96(74,75)76)20-34(40(22)44(42)70)68-66-32-14-12-28-30(46(32)102(92,93)94)4-2-6-36(28)98(80,81)82;;;;;;;;/h1-20,69-70H,(H,71,72,73)(H,74,75,76)(H,77,78,79)(H,80,81,82)(H,83,84,85)(H,86,87,88)(H,89,90,91)(H,92,93,94)(H2,55,57,59,61,63)(H2,56,58,60,62,64);;;;;;;;/q;8*+1/p-8
- Identifier:
- other: InChl
- InChI=1S/C52H34Cl2N14O26S8.8Na/c53-47-59-49(63-51(61-47)57-41-37(99(83,84)85)17-21-15-25(95(71,72)73)19-33(39(21)43(41)69)67-65-31-13-11-27-29(45(31)101(89,90)91)3-1-5-35(27)97(77,78)79)55-23-7-9-24(10-8-23)56-50-60-48(54)62-52(64-50)58-42-38(100(86,87)88)18-22-16-26(96(74,75)76)20-34(40(22)44(42)70)68-66-32-14-12-28-30(46(32)102(92,93)94)4-2-6-36(28)98(80,81)82;;;;;;;;/h1-20,69-70H,(H,71,72,73)(H,74,75,76)(H,77,78,79)(H,80,81,82)(H,83,84,85)(H,86,87,88)(H,89,90,91)(H,92,93,94)(H2,55,57,59,61,63)(H2,56,58,60,62,64);;;;;;;;/q;8*+1/p-8/b67-65+,68-66+;;;;;;;;
- Identifier:
- other: SMILES notation
- Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])c%10c%11cccc(c%11ccc%10N=Nc9cc(cc8cc(c(Nc1nc(nc(Cl)n1)Nc7ccc(Nc6nc(Nc5c(cc4cc(cc(N=Nc3ccc2c(cccc2c3S([O-])(=O)=O)S([O-])(=O)=O)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O)nc(Cl)n6)cc7)c(O)c89)S([O-])(=O)=O)S([O-])(=O)=O)S(=O)([O-])=O
- Identifier:
- other: SMILES notation
- [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])c%10c%11cccc(c%11ccc%10/N=N/c8cc(cc9cc(c(Nc1nc(nc(Cl)n1)Nc7ccc(Nc6nc(Nc4c(O)c5c(/N=N/c3ccc2c(cccc2c3S([O-])(=O)=O)S([O-])(=O)=O)cc(cc5cc4S([O-])(=O)=O)S([O-])(=O)=O)nc(Cl)n6)cc7)c(O)c89)S([O-])(=O)=O)S([O-])(=O)=O)S(=O)([O-])=O
- octasodium 2,2'-{1,4-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(8-hydroxy-3,6-disulfonatonaphthalene-7,1-diyl)diazene-2,1-diyl]}dinaphthalene-1,5-disulfonate
Molecular and structural information
- Molecular formula:
- C52H26Cl2N14Na8O26S8
- Molecular weight:
- 1 774.185
- SMILES notation:
- [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])c%10c%11cccc(c%11ccc%10N=Nc9cc(cc8cc(c(Nc1nc(nc(Cl)n1)Nc7ccc(Nc6nc(Nc5c(cc4cc(cc(N=Nc3ccc2c(cccc2c3S([O-])(=O)=O)S([O-])(=O)=O)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O)nc(Cl)n6)cc7)c(O)c89)S([O-])(=O)=O)S([O-])(=O)=O)S(=O)([O-])=O
- InChl:
- InChI=1/C52H34Cl2N14O26S8.8Na/c53-47-59-49(63-51(61-47)57-41-37(99(83,84)85)17-21-15-25(95(71,72)73)19-33(39(21)43(41)69)67-65-31-13-11-27-29(45(31)101(89,90)91)3-1-5-35(27)97(77,78)79)55-23-7-9-24(10-8-23)56-50-60-48(54)62-52(64-50)58-42-38(100(86,87)88)18-22-16-26(96(74,75)76)20-34(40(22)44(42)70)68-66-32-14-12-28-30(46(32)102(92,93)94)4-2-6-36(28)98(80,81)82;;;;;;;;/h1-20,69-70H,(H,71,72,73)(H,74,75,76)(H,77,78,79)(H,80,81,82)(H,83,84,85)(H,86,87,88)(H,89,90,91)(H,92,93,94)(H2,55,57,59,61,63)(H2,56,58,60,62,64);;;;;;;;/q;8*+1/p-8
- Structural formula:
Related substances
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