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

Systemtic Name: tetrasodium 5-[[4-(2-hydroxyethylamino)-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2-hydroxyethylamino)-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate Openeye Name: tetrasodium 5-[[4-(2-hydroxyethylamino)-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2-hydroxyethylamino)-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate CAS Name: tetrasodium 5-[[4-(2-hydroxyethylamino)-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2-hydroxyethylamino)-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate IUPAC Name: tetrasodium 5-[[4-(2-hydroxyethylamino)-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2-hydroxyethylamino)-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate Traditional Name: tetrasodium 5-[[4-(2-hydroxyethylamino)-6-(4-sulfonatoanilino)-s-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2-hydroxyethylamino)-6-(4-sulfonatoanilino)-s-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]besylate Formula: C36H32N12Na4O14S4 MolecularWeight: 1076.93036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC(=NC(=N2)NCCO)NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=C(C=C6)S(=O)(=O)[O-])NCCO)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1NC2=NC(=NC(=N2)NCCO)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=C(C=C6)S(=O)(=O)[O-])NCCO)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C36H36N12O14S4.4Na/c49-17-15-37-31-43-33(39-23-7-11-27(12-8-23)63(51,52)53)47-35(45-31)41-25-5-3-21(29(19-25)65(57,58)59)1-2-22-4-6-26(20-30(22)66(60,61)62)42-36-46-32(38-16-18-50)44-34(48-36)40-24-9-13-28(14-10-24)64(54,55)56;;;;/h1-14,19-20,49-50H,15-18H2,(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H3,37,39,41,43,45,47)(H3,38,40,42,44,46,48);;;;/q;4*+1/p-4/b2-1+;;;;