tetrapotassium 5-[[4-[[2-(hydroxymethyl)-3-methoxy-propyl]-(2-methoxyethyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[[2-(hydroxymethyl)-3-methoxy-propyl]-(2-methoxyethyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate

Systemtic Name: tetrapotassium 5-[[4-[[2-(hydroxymethyl)-3-methoxy-propyl]-(2-methoxyethyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[[2-(hydroxymethyl)-3-methoxy-propyl]-(2-methoxyethyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate Openeye Name: tetrapotassium 5-[[4-[[2-(hydroxymethyl)-3-methoxy-propyl]-(2-methoxyethyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[[2-(hydroxymethyl)-3-methoxy-propyl]-(2-methoxyethyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate CAS Name: tetrapotassium 5-[[4-[[2-(hydroxymethyl)-3-methoxypropyl]-(2-methoxyethyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[[2-(hydroxymethyl)-3-methoxypropyl]-(2-methoxyethyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate IUPAC Name: tetrapotassium 5-[[4-[[2-(hydroxymethyl)-3-methoxypropyl]-(2-methoxyethyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[[2-(hydroxymethyl)-3-methoxypropyl]-(2-methoxyethyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate Traditional Name: tetrapotassium 5-[[4-[[3-hydroxy-2-(methoxymethyl)propyl]-(2-methoxyethyl)amino]-6-(2-sulfonatoethylamino)-s-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[[3-hydroxy-2-(methoxymethyl)propyl]-(2-methoxyethyl)amino]-6-(2-sulfonatoethylamino)-s-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]besylate Formula: C40H56K4N12O18S4 MolecularWeight: 1277.59544

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC(CO)COC)C1=NC(=NC(=N1)NCCS(=O)(=O)[O-])NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC4=NC(=NC(=N4)N(CCOC)CC(CO)COC)NCCS(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[K+].[K+].[K+].[K+]

Isomeric SMILES

COCCN(CC(CO)COC)C1=NC(=NC(=N1)NCCS(=O)(=O)[O-])NC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)NC4=NC(=NC(=N4)N(CCOC)CC(CO)COC)NCCS(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[K+].[K+].[K+].[K+]

InChI

InChI=1S/C40H60N12O18S4.4K/c1-67-15-13-51(21-27(23-53)25-69-3)39-47-35(41-11-17-71(55,56)57)45-37(49-39)43-31-9-7-29(33(19-31)73(61,62)63)5-6-30-8-10-32(20-34(30)74(64,65)66)44-38-46-36(42-12-18-72(58,59)60)48-40(50-38)52(14-16-68-2)22-28(24-54)26-70-4;;;;/h5-10,19-20,27-28,53-54H,11-18,21-26H2,1-4H3,(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;;;/q;4*+1/p-4/b6-5+;;;;