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Reference substances

Currently viewing:
IUPAC name:
hexasodium 2,2'-(ethene-1,2-diylbis{(3-sulfonato-4,1-phenylene)imino[6-(diethylamino)-1,3,5-triazine-4,2-diyl]imino})dibenzene-1,4-disulfonate

Inventory

EC number:
255-217-5
EC name:
Hexasodium 2,2'-[vinylenebis[(3-sulphonato-4,1-phenylene)imino[6-(diethylamino)-1,3,5-triazine-4,2-diyl]imino]]bis(benzene-1,4-disulphonate)
CAS number:
41098-56-0
CAS number:
41098-56-0
Synonyms
Names:
1,4-Benzenedisulfonic acid, 2,2'-[1,2-ethenediylbis[( 3-sulfo-4,1-phenylene)imino[6-(diethylamino)-1,3,5 -triazine-4,2-diyl]imino]]bis-, hexasodium salt
1,4-Benzenedisulfonic acid, 2,2'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)imino[6-(diethylamino)-1,3,5-triazine-4,2-diyl]imino]]bis-, hexasodium salt
Identifier:
IUPAC name
hexasodium 2-{[4-(diethylamino)-6-({4-[(E)-2-(4-{[4-(diethylamino)-6-[(2,5-disulfonatophenyl)amino]-1,3,5-triazin-2-yl]amino}-2-sulfonatophenyl)ethenyl]-3-sulfonatophenyl}amino)-1,3,5-triazin-2-yl]amino}benzene-1,4-disulfonate
Identifier:
IUPAC name
hexasodium 2,2'-(ethene-1,2-diylbis{(3-sulfonato-4,1-phenylene)imino[6-(diethylamino)-1,3,5-triazine-4,2-diyl]imino})dibenzene-1,4-disulfonate
Identifier:
IUPAC name
Hexasodium 2,2'-[vinylenebis[(3-sulphonato-4,1-phenylene)imino[6-(diethylamino)-1,3,5-triazine-4,2-diyl]imino]]bis(benzene-1,4-disulphonate)
Identifier:
IUPAC name
hexasodium 2,2'-[vinylenebis[(3-sulphonato-4,1-phenylene)imino[6-(diethylamino)-1,3,5-triazine-4,2-diyl]imino]]bis(benzene-1,4-disulphonate)
Identifier:
IUPAC name
hexasodium 2-{[4-(diethylamino)-6-({4-[(E)-2-(4-{[4-(diethylamino)-6-[(2,5-disulfonatophenyl)amino]-1,3,5-triazin-2-yl]amino}-2-sulfonatophenyl)ethenyl]-3-sulfonatophenyl}amino)-1,3,5-triazin-2-yl]amino}benzene-1,4-disulfonate
Identifier:
other: InChl
1/C40H44N12O18S6.6Na/c1-5-51(6-2)39-47-35(45-37(49-39)43-29-21-27(71(53,54)55)15-17-31(29)73(59,60)61)41-25-13-11-23(33(19-25)75(65,66)67)9-10-24-12-14-26(20-34(24)76(68,69)70)42-36-46-38(50-40(48-36)52(7-3)8-4)44-30-22-28(72(56,57)58)16-18-32(30)74(62,63)64;;;;;;/h9-22H,5-8H2,1-4H3,(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;;;;;/q;6*+1/p-6/rC40H38N12Na6O18S6/c1-5-51(6-2)39-47-35(45-37(49-39)43-29-21-27(77(59,60)71-53)15-17-31(29)79(63,64)73-55)41-25-13-11-23(33(19-25)81(67,68)75-57)9-10-24-12-14-26(20-34(24)82(69,70)76-58)42-36-46-38(50-40(48-36)52(7-3)8-4)44-30-22-28(78(61,62)72-54)16-18-32(30)80(65,66)74-56/h9-22H,5-8H2,1-4H3,(H2,41,43,45,47,49)(H2,42,44,46,48,50)
Identifier:
other: InChl
1S/C40H44N12O18S6.6Na/c1-5-51(6-2)39-47-35(45-37(49-39)43-29-21-27(71(53,54)55)15-17-31(29)73(59,60)61)41-25-13-11-23(33(19-25)75(65,66)67)9-10-24-12-14-26(20-34(24)76(68,69)70)42-36-46-38(50-40(48-36)52(7-3)8-4)44-30-22-28(72(56,57)58)16-18-32(30)74(62,63)64;;;;;;/h9-22H,5-8H2,1-4H3,(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;;;;;/q;6*+1/p-6/b10-9+;;;;;;
Identifier:
other: Molecular formula
C40H38N12Na6O18S6
Identifier:
other: SMILES notation
CCN(CC)c1nc(nc(n1)Nc2cc(ccc2S(=O)(=O)[O-])S(=O)(=O)[O-])Nc3ccc(c(c3)S(=O)(=O)[O-])/C=C/c4ccc(cc4S(=O)(=O)[O-])Nc5nc(nc(n5)N(CC)CC)Nc6cc(ccc6S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

Molecular and structural information

Molecular formula:
C40H44N12O18S6.6Na
Molecular weight:
1 305.128
SMILES notation:
CCN(CC)c1nc(Nc2ccc(C=Cc3ccc(Nc4nc(Nc5cc(ccc5S(=O)(=O)O[Na])S(=O)(=O)O[Na])nc(n4)N(CC)CC)cc3S(=O)(=O)O[Na])c(c2)S(=O)(=O)O[Na])nc(Nc6cc(ccc6S(=O)(=O)O[Na])S(=O)(=O)O[Na])n1
InChl:
InChI=1/C40H44N12O18S6.6Na/c1-5-51(6-2)39-47-35(45-37(49-39)43-29-21-27(71(53,54)55)15-17-31(29)73(59,60)61)41-25-13-11-23(33(19-25)75(65,66)67)9-10-24-12-14-26(20-34(24)76(68,69)70)42-36-46-38(50-40(48-36)52(7-3)8-4)44-30-22-28(72(56,57)58)16-18-32(30)74(62,63)64;;;;;;/h9-22H,5-8H2,1-4H3,(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;;;;;/q;6*+1/p-6/rC40H38N12Na6O18S6/c1-5-51(6-2)39-47-35(45-37(49-39)43-29-21-27(77(59,60)71-53)15-17-31(29)79(63,64)73-55)41-25-13-11-23(33(19-25)81(67,68)75-57)9-10-24-12-14-26(20-34(24)82(69,70)76-58)42-36-46-38(50-40(48-36)52(7-3)8-4)44-30-22-28(78(61,62)72-54)16-18-32(30)80(65,66)74-56/h9-22H,5-8H2,1-4H3,(H2,41,43,45,47,49)(H2,42,44,46,48,50)
Structural formula:
Chemical structure

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