2-[bis(2-hydroxyethyl)amino]ethanol; 5-[(4-chloranyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-chloranyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-sulfo-phenyl]ethenyl]benzenesulfonic acid

Systemtic Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 5-[(4-chloranyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-chloranyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-sulfo-phenyl]ethenyl]benzenesulfonic acid Openeye Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 5-[(4-chloro-6-morpholino-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-chloro-6-morpholino-1,3,5-triazin-2-yl)amino]-2-sulfo-phenyl]vinyl]benzenesulfonic acid CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 5-[[4-chloro-6-(4-morpholinyl)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-chloro-6-(4-morpholinyl)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 5-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid Traditional Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 5-[(4-chloro-6-morpholino-s-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-chloro-6-morpholino-s-triazin-2-yl)amino]-2-sulfo-phenyl]vinyl]besylic acid Formula: C40H58Cl2N12O14S2 MolecularWeight: 1065.99652

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=NC(=N2)Cl)NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)NC5=NC(=NC(=N5)N6CCOCC6)Cl)S(=O)(=O)O)S(=O)(=O)O.C(CO)N(CCO)CCO.C(CO)N(CCO)CCO

Isomeric SMILES

C1COCCN1C2=NC(=NC(=N2)Cl)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)N6CCOCC6)Cl)S(=O)(=O)O)S(=O)(=O)O.C(CO)N(CCO)CCO.C(CO)N(CCO)CCO

InChI

InChI=1S/C28H28Cl2N10O8S2.2C6H15NO3/c29-23-33-25(37-27(35-23)39-7-11-47-12-8-39)31-19-5-3-17(21(15-19)49(41,42)43)1-2-18-4-6-20(16-22(18)50(44,45)46)32-26-34-24(30)36-28(38-26)40-9-13-48-14-10-40;2*8-4-1-7(2-5-9)3-6-10/h1-6,15-16H,7-14H2,(H,41,42,43)(H,44,45,46)(H,31,33,35,37)(H,32,34,36,38);2*8-10H,1-6H2/b2-1+;;