tetrasodium 5-[[4-[2-(2-hydroxyethyloxy)ethyl-(4-hydroxyphenyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[2-(2-hydroxyethyloxy)ethyl-(4-hydroxyphenyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate

Systemtic Name: tetrasodium 5-[[4-[2-(2-hydroxyethyloxy)ethyl-(4-hydroxyphenyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[2-(2-hydroxyethyloxy)ethyl-(4-hydroxyphenyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate Openeye Name: tetrasodium 5-[[4-[4-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]anilino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[4-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]anilino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate CAS Name: tetrasodium 5-[[4-[4-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]anilino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[4-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]anilino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate IUPAC Name: tetrasodium 5-[[4-[4-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]anilino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[4-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]anilino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate Traditional Name: tetrasodium 5-[[4-[4-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]anilino]-6-(2-sulfonatoethylamino)-s-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[4-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]anilino]-6-(2-sulfonatoethylamino)-s-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]besylate Formula: C44H48N12Na4O18S4 MolecularWeight: 1253.1406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N(CCOCCO)C2=NC(=NC(=N2)NCCS(=O)(=O)[O-])NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)NC5=NC(=NC(=N5)N(CCOCCO)C6=CC=C(C=C6)O)NCCS(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1N(CCOCCO)C2=NC(=NC(=N2)NCCS(=O)(=O)[O-])NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)N(CCOCCO)C6=CC=C(C=C6)O)NCCS(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C44H52N12O18S4.4Na/c57-19-23-73-21-17-55(33-7-11-35(59)12-8-33)43-51-39(45-15-25-75(61,62)63)49-41(53-43)47-31-5-3-29(37(27-31)77(67,68)69)1-2-30-4-6-32(28-38(30)78(70,71)72)48-42-50-40(46-16-26-76(64,65)66)52-44(54-42)56(18-22-74-24-20-58)34-9-13-36(60)14-10-34;;;;/h1-14,27-28,57-60H,15-26H2,(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H2,45,47,49,51,53)(H2,46,48,50,52,54);;;;/q;4*+1/p-4/b2-1+;;;;