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

Systemtic Name: disodium 5-[[4,6-bis[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4,6-bis[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate Openeye Name: disodium 5-[[4,6-bis[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4,6-bis[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate CAS Name: disodium 5-[[4,6-bis[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4,6-bis[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate IUPAC Name: disodium 5-[[4,6-bis[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4,6-bis[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate Traditional Name: disodium 5-[[4,6-bis[bis(2-hydroxyethyl)amino]-s-triazin-2-yl]amino]-2-[(E)-2-[4-[[4,6-bis[bis(2-hydroxyethyl)amino]-s-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]besylate Formula: C36H50N12Na2O14S2 MolecularWeight: 984.96374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H52N12O14S2.2Na/c49-15-7-45(8-16-50)33-39-31(40-34(43-33)46(9-17-51)10-18-52)37-27-5-3-25(29(23-27)63(57,58)59)1-2-26-4-6-28(24-30(26)64(60,61)62)38-32-41-35(47(11-19-53)12-20-54)44-36(42-32)48(13-21-55)14-22-56;;/h1-6,23-24,49-56H,7-22H2,(H,57,58,59)(H,60,61,62)(H,37,39,40,43)(H,38,41,42,44);;/q;2*+1/p-2/b2-1+;;