disodium 3-azanyl-5-[4-(2-hydroxyethylamino)-6-methoxy-2H-1,3,5-triazin-1-yl]-2-[(E)-2-[4-[4-(2-hydroxyethylamino)-6-methoxy-2H-1,3,5-triazin-1-yl]-2-sulfonato-phenyl]ethenyl]benzenesulfonate

Systemtic Name: disodium 3-azanyl-5-[4-(2-hydroxyethylamino)-6-methoxy-2H-1,3,5-triazin-1-yl]-2-[(E)-2-[4-[4-(2-hydroxyethylamino)-6-methoxy-2H-1,3,5-triazin-1-yl]-2-sulfonato-phenyl]ethenyl]benzenesulfonate Openeye Name: disodium 3-amino-5-[4-(2-hydroxyethylamino)-6-methoxy-2H-1,3,5-triazin-1-yl]-2-[(E)-2-[4-[4-(2-hydroxyethylamino)-6-methoxy-2H-1,3,5-triazin-1-yl]-2-sulfonato-phenyl]vinyl]benzenesulfonate CAS Name: disodium 3-amino-5-[4-(2-hydroxyethylamino)-6-methoxy-2H-1,3,5-triazin-1-yl]-2-[(E)-2-[4-[4-(2-hydroxyethylamino)-6-methoxy-2H-1,3,5-triazin-1-yl]-2-sulfonatophenyl]ethenyl]benzenesulfonate IUPAC Name: disodium 3-amino-5-[4-(2-hydroxyethylamino)-6-methoxy-2H-1,3,5-triazin-1-yl]-2-[(E)-2-[4-[4-(2-hydroxyethylamino)-6-methoxy-2H-1,3,5-triazin-1-yl]-2-sulfonatophenyl]ethenyl]benzenesulfonate Traditional Name: disodium 3-amino-5-[4-(2-hydroxyethylamino)-6-methoxy-2H-s-triazin-1-yl]-2-[(E)-2-[4-[4-(2-hydroxyethylamino)-6-methoxy-2H-s-triazin-1-yl]-2-sulfonato-phenyl]vinyl]besylate Formula: C26H31N9Na2O10S2 MolecularWeight: 739.68818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NCN1C2=CC(=C(C=C2)C=CC3=C(C=C(C=C3S(=O)(=O)[O-])N4CN=C(N=C4OC)NCCO)N)S(=O)(=O)[O-])NCCO.[Na+].[Na+]

Isomeric SMILES

COC1=NC(=NCN1C2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3S(=O)(=O)[O-])N4CN=C(N=C4OC)NCCO)N)S(=O)(=O)[O-])NCCO.[Na+].[Na+]

InChI

InChI=1S/C26H33N9O10S2.2Na/c1-44-25-32-23(28-7-9-36)30-14-34(25)17-5-3-16(21(12-17)46(38,39)40)4-6-19-20(27)11-18(13-22(19)47(41,42)43)35-15-31-24(29-8-10-37)33-26(35)45-2;;/h3-6,11-13,36-37H,7-10,14-15,27H2,1-2H3,(H,28,30)(H,29,31)(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2/b6-4+;;