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

Systemtic Name: 5-[[4-(2-hydroxyethylamino)-6-phenoxy-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2-hydroxyethylamino)-6-phenoxy-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]ethenyl]benzenesulfonic acid Openeye Name: 5-[[4-(2-hydroxyethylamino)-6-phenoxy-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2-hydroxyethylamino)-6-phenoxy-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]vinyl]benzenesulfonic acid CAS Name: 5-[[4-(2-hydroxyethylamino)-6-phenoxy-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2-hydroxyethylamino)-6-phenoxy-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid IUPAC Name: 5-[[4-(2-hydroxyethylamino)-6-phenoxy-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2-hydroxyethylamino)-6-phenoxy-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid Traditional Name: 5-[[4-(2-hydroxyethylamino)-6-phenoxy-s-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2-hydroxyethylamino)-6-phenoxy-s-triazin-2-yl]amino]-2-sulfo-phenyl]vinyl]besylic acid Formula: C36H34N10O10S2 MolecularWeight: 830.84616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=NC(=NC(=N2)NCCO)NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)NC5=NC(=NC(=N5)OC6=CC=CC=C6)NCCO)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=NC(=NC(=N2)NCCO)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)OC6=CC=CC=C6)NCCO)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C36H34N10O10S2/c47-19-17-37-31-41-33(45-35(43-31)55-27-7-3-1-4-8-27)39-25-15-13-23(29(21-25)57(49,50)51)11-12-24-14-16-26(22-30(24)58(52,53)54)40-34-42-32(38-18-20-48)44-36(46-34)56-28-9-5-2-6-10-28/h1-16,21-22,47-48H,17-20H2,(H,49,50,51)(H,52,53,54)(H2,37,39,41,43,45)(H2,38,40,42,44,46)/b12-11+