5-[[4-[2-hydroxyethyl(2-oxidanylpropyl)amino]-6-[methyl(2-oxidanylpropyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[2-hydroxyethyl(2-oxidanylpropyl)amino]-6-[methyl(2-oxidanylpropyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]ethenyl]benzenesulfonic acid

Systemtic Name: 5-[[4-[2-hydroxyethyl(2-oxidanylpropyl)amino]-6-[methyl(2-oxidanylpropyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[2-hydroxyethyl(2-oxidanylpropyl)amino]-6-[methyl(2-oxidanylpropyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]ethenyl]benzenesulfonic acid Openeye Name: 5-[[4-[2-hydroxyethyl(2-hydroxypropyl)amino]-6-[2-hydroxypropyl(methyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[2-hydroxyethyl(2-hydroxypropyl)amino]-6-[2-hydroxypropyl(methyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]vinyl]benzenesulfonic acid CAS Name: 5-[[4-[2-hydroxyethyl(2-hydroxypropyl)amino]-6-[2-hydroxypropyl(methyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[2-hydroxyethyl(2-hydroxypropyl)amino]-6-[2-hydroxypropyl(methyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid IUPAC Name: 5-[[4-[2-hydroxyethyl(2-hydroxypropyl)amino]-6-[2-hydroxypropyl(methyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[2-hydroxyethyl(2-hydroxypropyl)amino]-6-[2-hydroxypropyl(methyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid Traditional Name: 5-[[4-[2-hydroxyethyl(2-hydroxypropyl)amino]-6-[2-hydroxypropyl(methyl)amino]-s-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[2-hydroxyethyl(2-hydroxypropyl)amino]-6-[2-hydroxypropyl(methyl)amino]-s-triazin-2-yl]amino]-2-sulfo-phenyl]vinyl]besylic acid Formula: C38H56N12O12S2 MolecularWeight: 937.05444

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(C)C1=NC(=NC(=N1)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC4=NC(=NC(=N4)N(CCO)CC(C)O)N(C)CC(C)O)S(=O)(=O)O)S(=O)(=O)O)N(CCO)CC(C)O)O

Isomeric SMILES

CC(CN(C)C1=NC(=NC(=N1)NC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)NC4=NC(=NC(=N4)N(CCO)CC(C)O)N(C)CC(C)O)S(=O)(=O)O)S(=O)(=O)O)N(CCO)CC(C)O)O

InChI

InChI=1S/C38H56N12O12S2/c1-23(53)19-47(5)35-41-33(43-37(45-35)49(13-15-51)21-25(3)55)39-29-11-9-27(31(17-29)63(57,58)59)7-8-28-10-12-30(18-32(28)64(60,61)62)40-34-42-36(48(6)20-24(2)54)46-38(44-34)50(14-16-52)22-26(4)56/h7-12,17-18,23-26,51-56H,13-16,19-22H2,1-6H3,(H,57,58,59)(H,60,61,62)(H,39,41,43,45)(H,40,42,44,46)/b8-7+