3-azanyl-5-[4-[bis(2-hydroxyethyl)amino]-6-[(2,5-disulfophenyl)amino]-2H-1,3,5-triazin-1-yl]-2-[(E)-2-[4-[4-[bis(2-hydroxyethyl)amino]-6-[(2,5-disulfophenyl)amino]-2H-1,3,5-triazin-1-yl]-2-sulfonato-phenyl]ethenyl]benzenesulfonate

Systemtic Name: 3-azanyl-5-[4-[bis(2-hydroxyethyl)amino]-6-[(2,5-disulfophenyl)amino]-2H-1,3,5-triazin-1-yl]-2-[(E)-2-[4-[4-[bis(2-hydroxyethyl)amino]-6-[(2,5-disulfophenyl)amino]-2H-1,3,5-triazin-1-yl]-2-sulfonato-phenyl]ethenyl]benzenesulfonate Openeye Name: 3-amino-5-[4-[bis(2-hydroxyethyl)amino]-6-(2,5-disulfoanilino)-2H-1,3,5-triazin-1-yl]-2-[(E)-2-[4-[4-[bis(2-hydroxyethyl)amino]-6-(2,5-disulfoanilino)-2H-1,3,5-triazin-1-yl]-2-sulfonato-phenyl]vinyl]benzenesulfonate CAS Name: 3-amino-5-[4-[bis(2-hydroxyethyl)amino]-6-(2,5-disulfoanilino)-2H-1,3,5-triazin-1-yl]-2-[(E)-2-[4-[4-[bis(2-hydroxyethyl)amino]-6-(2,5-disulfoanilino)-2H-1,3,5-triazin-1-yl]-2-sulfonatophenyl]ethenyl]benzenesulfonate IUPAC Name: 3-amino-5-[4-[bis(2-hydroxyethyl)amino]-6-(2,5-disulfoanilino)-2H-1,3,5-triazin-1-yl]-2-[(E)-2-[4-[4-[bis(2-hydroxyethyl)amino]-6-(2,5-disulfoanilino)-2H-1,3,5-triazin-1-yl]-2-sulfonatophenyl]ethenyl]benzenesulfonate Traditional Name: 3-amino-5-[4-[bis(2-hydroxyethyl)amino]-6-(2,5-disulfoanilino)-2H-s-triazin-1-yl]-2-[(E)-2-[4-[4-[bis(2-hydroxyethyl)amino]-6-(2,5-disulfoanilino)-2H-s-triazin-1-yl]-2-sulfonato-phenyl]vinyl]besylate Formula: C40H45N11O22S6-2 MolecularWeight: 1224.2358

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Descriptors Computed from Structure

Canonical SMILES:

C1N=C(N=C(N1C2=CC(=C(C=C2)C=CC3=C(C=C(C=C3S(=O)(=O)[O-])N4CN=C(N=C4NC5=C(C=CC(=C5)S(=O)(=O)O)S(=O)(=O)O)N(CCO)CCO)N)S(=O)(=O)[O-])NC6=C(C=CC(=C6)S(=O)(=O)O)S(=O)(=O)O)N(CCO)CCO

Isomeric SMILES

C1N=C(N=C(N1C2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3S(=O)(=O)[O-])N4CN=C(N=C4NC5=C(C=CC(=C5)S(=O)(=O)O)S(=O)(=O)O)N(CCO)CCO)N)S(=O)(=O)[O-])NC6=C(C=CC(=C6)S(=O)(=O)O)S(=O)(=O)O)N(CCO)CCO

InChI

InChI=1S/C40H47N11O22S6/c41-30-17-26(51-23-43-38(49(11-15-54)12-16-55)47-40(51)45-32-21-28(75(59,60)61)5-8-34(32)77(65,66)67)19-36(79(71,72)73)29(30)6-2-24-1-3-25(18-35(24)78(68,69)70)50-22-42-37(48(9-13-52)10-14-53)46-39(50)44-31-20-27(74(56,57)58)4-7-33(31)76(62,63)64/h1-8,17-21,52-55H,9-16,22-23,41H2,(H,42,44,46)(H,43,45,47)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)/p-2/b6-2+