disodium 5-[[4-[bis(2-oxidanylpropyl)amino]-6-phenylazanyl-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-oxidanylpropyl)amino]-6-phenylazanyl-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate

Systemtic Name: disodium 5-[[4-[bis(2-oxidanylpropyl)amino]-6-phenylazanyl-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-oxidanylpropyl)amino]-6-phenylazanyl-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate Openeye Name: disodium 5-[[4-anilino-6-[bis(2-hydroxypropyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-anilino-6-[bis(2-hydroxypropyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate CAS Name: disodium 5-[[4-anilino-6-[bis(2-hydroxypropyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-anilino-6-[bis(2-hydroxypropyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate IUPAC Name: disodium 5-[[4-anilino-6-[bis(2-hydroxypropyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-anilino-6-[bis(2-hydroxypropyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate Traditional Name: disodium 5-[[4-anilino-6-[bis(2-hydroxypropyl)amino]-s-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-anilino-6-[bis(2-hydroxypropyl)amino]-s-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]besylate Formula: C44H50N12Na2O10S2 MolecularWeight: 1017.05174

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(CC(C)O)C1=NC(=NC(=N1)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=CC=C5)N(CC(C)O)CC(C)O)S(=O)(=O)[O-])S(=O)(=O)[O-])NC6=CC=CC=C6)O.[Na+].[Na+]

Isomeric SMILES

CC(CN(CC(C)O)C1=NC(=NC(=N1)NC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=CC=C5)N(CC(C)O)CC(C)O)S(=O)(=O)[O-])S(=O)(=O)[O-])NC6=CC=CC=C6)O.[Na+].[Na+]

InChI

InChI=1S/C44H52N12O10S2.2Na/c1-27(57)23-55(24-28(2)58)43-51-39(45-33-11-7-5-8-12-33)49-41(53-43)47-35-19-17-31(37(21-35)67(61,62)63)15-16-32-18-20-36(22-38(32)68(64,65)66)48-42-50-40(46-34-13-9-6-10-14-34)52-44(54-42)56(25-29(3)59)26-30(4)60;;/h5-22,27-30,57-60H,23-26H2,1-4H3,(H,61,62,63)(H,64,65,66)(H2,45,47,49,51,53)(H2,46,48,50,52,54);;/q;2*+1/p-2/b16-15+;;