5-[[4-[methyl-[2,3,4,5,6-pentakis(oxidanyl)hexyl]amino]-6-[methyl(2-sulfoethyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[methyl-[2,3,4,5,6-pentakis(oxidanyl)hexyl]amino]-6-[methyl(2-sulfoethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfinooxy-phenyl]ethenyl]benzenesulfonic acid

Systemtic Name: 5-[[4-[methyl-[2,3,4,5,6-pentakis(oxidanyl)hexyl]amino]-6-[methyl(2-sulfoethyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[methyl-[2,3,4,5,6-pentakis(oxidanyl)hexyl]amino]-6-[methyl(2-sulfoethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfinooxy-phenyl]ethenyl]benzenesulfonic acid Openeye Name: 5-[[4-[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-[methyl(2-sulfoethyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-[methyl(2-sulfoethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfinooxy-phenyl]vinyl]benzenesulfonic acid CAS Name: 5-[[4-[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-[methyl(2-sulfoethyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-[methyl(2-sulfoethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfinooxyphenyl]ethenyl]benzenesulfonic acid IUPAC Name: 5-[[4-[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-[methyl(2-sulfoethyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-[methyl(2-sulfoethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfinooxyphenyl]ethenyl]benzenesulfonic acid Traditional Name: 5-[[4-[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-[methyl(2-sulfoethyl)amino]-s-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]-6-[methyl(2-sulfoethyl)amino]-s-triazin-2-yl]amino]-2-sulfinooxy-phenyl]vinyl]besylic acid Formula: C40H60N12O22S4 MolecularWeight: 1189.2316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H60N12O22S4/c1-49(11-13-76(65,66)67)37-43-35(45-39(47-37)51(3)17-25(55)31(59)33(61)27(57)19-53)41-23-9-7-21(29(15-23)74-75(63)64)5-6-22-8-10-24(16-30(22)78(71,72)73)42-36-44-38(50(2)12-14-77(68,69)70)48-40(46-36)52(4)18-26(56)32(60)34(62)28(58)20-54/h5-10,15-16,25-28,31-34,53-62H,11-14,17-20H2,1-4H3,(H,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,41,43,45,47)(H,42,44,46,48)/b6-5+