tetrasodium 5-[[4-[2,3-bis(oxidanyl)propylamino]-6-(2-oxidanidylperoxysulfanylethylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[2,3-bis(oxidanyl)propylamino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate

Systemtic Name: tetrasodium 5-[[4-[2,3-bis(oxidanyl)propylamino]-6-(2-oxidanidylperoxysulfanylethylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[2,3-bis(oxidanyl)propylamino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate Openeye Name: tetrasodium 5-[[4-(2,3-dihydroxypropylamino)-6-(2-oxidoperoxysulfanylethylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2,3-dihydroxypropylamino)-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate CAS Name: tetrasodium 5-[[4-(2,3-dihydroxypropylamino)-6-[2-(oxidodioxythio)ethylamino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2,3-dihydroxypropylamino)-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate IUPAC Name: tetrasodium 5-[[4-(2,3-dihydroxypropylamino)-6-(2-oxidoperoxysulfanylethylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2,3-dihydroxypropylamino)-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate Traditional Name: tetrasodium 5-[[4-(glycerylamino)-6-[2-(oxidoperoxythio)ethylamino]-s-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(glycerylamino)-6-(2-sulfonatoethylamino)-s-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]besylate Formula: C30H36N12Na4O16S4 MolecularWeight: 1040.89672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=NC(=NC(=N2)NCC(CO)O)NCCSOO[O-])S(=O)(=O)[O-])C=CC3=C(C=C(C=C3)NC4=NC(=NC(=N4)NCC(CO)O)NCCS(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=C(C=C1NC2=NC(=NC(=N2)NCC(CO)O)NCCSOO[O-])S(=O)(=O)[O-])/C=C/C3=C(C=C(C=C3)NC4=NC(=NC(=N4)NCC(CO)O)NCCS(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C30H40N12O16S4.4Na/c43-15-21(45)13-33-27-37-25(31-7-9-59-58-57-47)39-29(41-27)35-19-5-3-17(23(11-19)61(51,52)53)1-2-18-4-6-20(12-24(18)62(54,55)56)36-30-40-26(32-8-10-60(48,49)50)38-28(42-30)34-14-22(46)16-44;;;;/h1-6,11-12,21-22,43-47H,7-10,13-16H2,(H,48,49,50)(H,51,52,53)(H,54,55,56)(H3,31,33,35,37,39,41)(H3,32,34,36,38,40,42);;;;/q;4*+1/p-4/b2-1+;;;;