disodium 5-[[4-[2-[2-(2-hydroxyethyloxy)ethoxy]ethylamino]-6-[2,3,4,5,6-pentakis(oxidanyl)hexylamino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[2-[2-(2-hydroxyethyloxy)ethoxy]ethylamino]-6-[2,3,4,5,6-pentakis(oxidanyl)hexylamino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate

Systemtic Name: disodium 5-[[4-[2-[2-(2-hydroxyethyloxy)ethoxy]ethylamino]-6-[2,3,4,5,6-pentakis(oxidanyl)hexylamino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[2-[2-(2-hydroxyethyloxy)ethoxy]ethylamino]-6-[2,3,4,5,6-pentakis(oxidanyl)hexylamino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate Openeye Name: disodium 5-[[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]-6-(2,3,4,5,6-pentahydroxyhexylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]-6-(2,3,4,5,6-pentahydroxyhexylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate CAS Name: disodium 5-[[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]-6-(2,3,4,5,6-pentahydroxyhexylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]-6-(2,3,4,5,6-pentahydroxyhexylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate IUPAC Name: disodium 5-[[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]-6-(2,3,4,5,6-pentahydroxyhexylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]-6-(2,3,4,5,6-pentahydroxyhexylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate Traditional Name: disodium 5-[[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]-6-(2,3,4,5,6-pentahydroxyhexylamino)-s-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]-6-(2,3,4,5,6-pentahydroxyhexylamino)-s-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]besylate Formula: C44H66N12Na2O22S2 MolecularWeight: 1225.17158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H68N12O22S2.2Na/c57-9-13-77-17-15-75-11-7-45-39-51-41(47-21-29(61)35(65)37(67)31(63)23-59)55-43(53-39)49-27-5-3-25(33(19-27)79(69,70)71)1-2-26-4-6-28(20-34(26)80(72,73)74)50-44-54-40(46-8-12-76-16-18-78-14-10-58)52-42(56-44)48-22-30(62)36(66)38(68)32(64)24-60;;/h1-6,19-20,29-32,35-38,57-68H,7-18,21-24H2,(H,69,70,71)(H,72,73,74)(H3,45,47,49,51,53,55)(H3,46,48,50,52,54,56);;/q;2*+1/p-2/b2-1+;;