5-[[4-[bis(2-oxidanylpropan-2-yl)amino]-1,3,5-triazin-2-yl]-[(4-sulfophenyl)amino]amino]-2-[(E)-2-[4-[[4-[bis(2-oxidanylpropan-2-yl)amino]-1,3,5-triazin-2-yl]-[(4-sulfophenyl)amino]amino]-2-sulfo-phenyl]ethenyl]benzenesulfonic acid

Systemtic Name: 5-[[4-[bis(2-oxidanylpropan-2-yl)amino]-1,3,5-triazin-2-yl]-[(4-sulfophenyl)amino]amino]-2-[(E)-2-[4-[[4-[bis(2-oxidanylpropan-2-yl)amino]-1,3,5-triazin-2-yl]-[(4-sulfophenyl)amino]amino]-2-sulfo-phenyl]ethenyl]benzenesulfonic acid Openeye Name: 5-[[4-[bis(1-hydroxy-1-methyl-ethyl)amino]-1,3,5-triazin-2-yl]-(4-sulfoanilino)amino]-2-[(E)-2-[4-[[4-[bis(1-hydroxy-1-methyl-ethyl)amino]-1,3,5-triazin-2-yl]-(4-sulfoanilino)amino]-2-sulfo-phenyl]vinyl]benzenesulfonic acid CAS Name: 5-[[4-[bis(2-hydroxypropan-2-yl)amino]-1,3,5-triazin-2-yl]-(4-sulfoanilino)amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxypropan-2-yl)amino]-1,3,5-triazin-2-yl]-(4-sulfoanilino)amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid IUPAC Name: 5-[[4-[bis(2-hydroxypropan-2-yl)amino]-1,3,5-triazin-2-yl]-(4-sulfoanilino)amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxypropan-2-yl)amino]-1,3,5-triazin-2-yl]-(4-sulfoanilino)amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid Traditional Name: 5-[[4-[bis(1-hydroxy-1-methyl-ethyl)amino]-s-triazin-2-yl]-(4-sulfoanilino)amino]-2-[(E)-2-[4-[[4-[bis(1-hydroxy-1-methyl-ethyl)amino]-s-triazin-2-yl]-(4-sulfoanilino)amino]-2-sulfo-phenyl]vinyl]besylic acid Formula: C44H52N12O16S4 MolecularWeight: 1133.21448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(N(C1=NC=NC(=N1)N(C2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)N(C4=NC(=NC=N4)N(C(C)(C)O)C(C)(C)O)NC5=CC=C(C=C5)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC6=CC=C(C=C6)S(=O)(=O)O)C(C)(C)O)O

Isomeric SMILES

CC(C)(N(C1=NC=NC(=N1)N(C2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)N(C4=NC(=NC=N4)N(C(C)(C)O)C(C)(C)O)NC5=CC=C(C=C5)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC6=CC=C(C=C6)S(=O)(=O)O)C(C)(C)O)O

InChI

InChI=1S/C44H52N12O16S4/c1-41(2,57)55(42(3,4)58)39-47-25-45-37(49-39)53(51-29-13-19-33(20-14-29)73(61,62)63)31-17-11-27(35(23-31)75(67,68)69)9-10-28-12-18-32(24-36(28)76(70,71)72)54(52-30-15-21-34(22-16-30)74(64,65)66)38-46-26-48-40(50-38)56(43(5,6)59)44(7,8)60/h9-26,51-52,57-60H,1-8H3,(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)/b10-9+