potassium sodium 5-[[4-(2-hydroxyethylamino)-6-phenylazanyl-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2-hydroxyethylamino)-6-phenylazanyl-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate

Systemtic Name: potassium sodium 5-[[4-(2-hydroxyethylamino)-6-phenylazanyl-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2-hydroxyethylamino)-6-phenylazanyl-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate Openeye Name: potassium sodium 5-[[4-anilino-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-anilino-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate CAS Name: potassium sodium 5-[[4-anilino-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-anilino-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate IUPAC Name: potassium sodium 5-[[4-anilino-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-anilino-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate Traditional Name: potassium sodium 5-[[4-anilino-6-(2-hydroxyethylamino)-s-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-anilino-6-(2-hydroxyethylamino)-s-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]besylate Formula: C36H34KN12NaO8S2 MolecularWeight: 888.94883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)NCCO)NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=CC=C6)NCCO)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[K+]

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)NCCO)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=CC=C6)NCCO)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[K+]

InChI

InChI=1S/C36H36N12O8S2.K.Na/c49-19-17-37-31-43-33(39-25-7-3-1-4-8-25)47-35(45-31)41-27-15-13-23(29(21-27)57(51,52)53)11-12-24-14-16-28(22-30(24)58(54,55)56)42-36-46-32(38-18-20-50)44-34(48-36)40-26-9-5-2-6-10-26;;/h1-16,21-22,49-50H,17-20H2,(H,51,52,53)(H,54,55,56)(H3,37,39,41,43,45,47)(H3,38,40,42,44,46,48);;/q;2*+1/p-2/b12-11+;;