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

Systemtic Name: disodium 5-[[4-chloranyl-6-[2-hydroxyethyl(methyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-chloranyl-6-[2-hydroxyethyl(methyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate Openeye Name: disodium 5-[[4-chloro-6-[2-hydroxyethyl(methyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-chloro-6-[2-hydroxyethyl(methyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate CAS Name: disodium 5-[[4-chloro-6-[2-hydroxyethyl(methyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-chloro-6-[2-hydroxyethyl(methyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate IUPAC Name: disodium 5-[[4-chloro-6-[2-hydroxyethyl(methyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-chloro-6-[2-hydroxyethyl(methyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate Traditional Name: disodium 5-[[4-chloro-6-[2-hydroxyethyl(methyl)amino]-s-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-chloro-6-[2-hydroxyethyl(methyl)amino]-s-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]besylate Formula: C26H26Cl2N10Na2O8S2 MolecularWeight: 787.56238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28Cl2N10O8S2.2Na/c1-37(9-11-39)25-33-21(27)31-23(35-25)29-17-7-5-15(19(13-17)47(41,42)43)3-4-16-6-8-18(14-20(16)48(44,45)46)30-24-32-22(28)34-26(36-24)38(2)10-12-40;;/h3-8,13-14,39-40H,9-12H2,1-2H3,(H,41,42,43)(H,44,45,46)(H,29,31,33,35)(H,30,32,34,36);;/q;2*+1/p-2/b4-3+;;