5-[4-[[4,6-bis[3-[bis(2-hydroxyethyl)sulfamoyl]anilino]-1,3,5-triazin-2-yl]amino]-2-sulfo-anilino]-2-[4-[4-[[4,6-bis[3-[bis(2-hydroxyethyl)sulfamoyl]anilino]-1,3,5-triazin-2-yl]amino]-2-sulfo-anilino]-2-sulfo-phenyl]benzenesulfonic acid

Structural Information

Molecular Formula

C₇₀H₈₀N₁₈O₂₈S₈

SMILES

C1=CC(=CC(=C1)S(=O)(=O)N(CCO)CCO)NC2=NC(=NC(=N2)NC3=CC(=C(C=C3)NC4=CC(=C(C=C4)C5=C(C=C(C=C5)NC6=C(C=C(C=C6)NC7=NC(=NC(=N7)NC8=CC(=CC=C8)S(=O)(=O)N(CCO)CCO)NC9=CC(=CC=C9)S(=O)(=O)N(CCO)CCO)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC1=CC(=CC=C1)S(=O)(=O)N(CCO)CCO

InChI

InChI=1S/C70H80N18O28S8/c89-29-21-85(22-30-90)117(97,98)53-9-1-5-45(37-53)73-65-79-66(74-46-6-2-10-54(38-46)118(99,100)86(23-31-91)24-32-92)82-69(81-65)77-51-15-19-59(63(43-51)123(111,112)113)71-49-13-17-57(61(41-49)121(105,106)107)58-18-14-50(42-62(58)122(108,109)110)72-60-20-16-52(44-64(60)124(114,115)116)78-70-83-67(75-47-7-3-11-55(39-47)119(101,102)87(25-33-93)26-34-94)80-68(84-70)76-48-8-4-12-56(40-48)120(103,104)88(27-35-95)28-36-96/h1-20,37-44,71-72,89-96H,21-36H2,(H,105,106,107)(H,108,109,110)(H,111,112,113)(H,114,115,116)(H3,73,74,77,79,81,82)(H3,75,76,78,80,83,84)

InChIKey

OFEDEIKBSOTODZ-UHFFFAOYSA-N

Compound name

5-[4-[[4,6-bis[3-[bis(2-hydroxyethyl)sulfamoyl]anilino]-1,3,5-triazin-2-yl]amino]-2-sulfoanilino]-2-[4-[4-[[4,6-bis[3-[bis(2-hydroxyethyl)sulfamoyl]anilino]-1,3,5-triazin-2-yl]amino]-2-sulfoanilino]-2-sulfophenyl]benzenesulfonic acid

Related CIDs

• CID 16131819