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

Structural Information

Molecular Formula

C₈₂H₉₆N₁₈O₁₆S₄

SMILES

CCCN(CCC)C(=O)C1=CC(=CC=C1)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)C(=O)N(CCC)CCC)NC9=CC=CC(=C9)C(=O)N(CCC)CCC)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC1=CC=CC(=C1)C(=O)N(CCC)CCC

InChI

InChI=1S/C82H96N18O16S4/c1-9-37-97(38-10-2)73(101)53-21-17-25-57(45-53)85-77-91-78(86-58-26-18-22-54(46-58)74(102)98(39-11-3)40-12-4)94-81(93-77)89-63-31-35-67(71(51-63)119(111,112)113)83-61-29-33-65(69(49-61)117(105,106)107)66-34-30-62(50-70(66)118(108,109)110)84-68-36-32-64(52-72(68)120(114,115)116)90-82-95-79(87-59-27-19-23-55(47-59)75(103)99(41-13-5)42-14-6)92-80(96-82)88-60-28-20-24-56(48-60)76(104)100(43-15-7)44-16-8/h17-36,45-52,83-84H,9-16,37-44H2,1-8H3,(H,105,106,107)(H,108,109,110)(H,111,112,113)(H,114,115,116)(H3,85,86,89,91,93,94)(H3,87,88,90,92,95,96)

InChIKey

ROACLHOMKRQCRA-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16131829