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

Systemtic Name: tetrasodium 5-[[4-[2,3-bis(oxidanyl)propyl-(2-hydroxyethyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[2,3-bis(oxidanyl)propyl-(2-hydroxyethyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate Openeye Name: tetrasodium 5-[[4-[2,3-dihydroxypropyl(2-hydroxyethyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[2,3-dihydroxypropyl(2-hydroxyethyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate CAS Name: tetrasodium 5-[[4-[2,3-dihydroxypropyl(2-hydroxyethyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[2,3-dihydroxypropyl(2-hydroxyethyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate IUPAC Name: tetrasodium 5-[[4-[2,3-dihydroxypropyl(2-hydroxyethyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[2,3-dihydroxypropyl(2-hydroxyethyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate Traditional Name: tetrasodium 5-[[4-[glyceryl(2-hydroxyethyl)amino]-6-(2-sulfonatoethylamino)-s-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[glyceryl(2-hydroxyethyl)amino]-6-(2-sulfonatoethylamino)-s-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]besylate Formula: C34H44N12Na4O18S4 MolecularWeight: 1129.00184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H48N12O18S4.4Na/c47-11-9-45(17-25(51)19-49)33-41-29(35-7-13-65(53,54)55)39-31(43-33)37-23-5-3-21(27(15-23)67(59,60)61)1-2-22-4-6-24(16-28(22)68(62,63)64)38-32-40-30(36-8-14-66(56,57)58)42-34(44-32)46(10-12-48)18-26(52)20-50;;;;/h1-6,15-16,25-26,47-52H,7-14,17-20H2,(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H2,35,37,39,41,43)(H2,36,38,40,42,44);;;;/q;4*+1/p-4/b2-1+;;;;