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

Structural Information

Molecular Formula

C₇₈H₉₆N₁₈O₂₀S₈

SMILES

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

InChI

InChI=1S/C78H96N18O20S8/c1-9-37-93(38-10-2)117(97,98)61-25-17-21-53(45-61)81-73-87-74(82-54-22-18-26-62(46-54)118(99,100)94(39-11-3)40-12-4)90-77(89-73)85-59-31-35-67(71(51-59)123(111,112)113)79-57-29-33-65(69(49-57)121(105,106)107)66-34-30-58(50-70(66)122(108,109)110)80-68-36-32-60(52-72(68)124(114,115)116)86-78-91-75(83-55-23-19-27-63(47-55)119(101,102)95(41-13-5)42-14-6)88-76(92-78)84-56-24-20-28-64(48-56)120(103,104)96(43-15-7)44-16-8/h17-36,45-52,79-80H,9-16,37-44H2,1-8H3,(H,105,106,107)(H,108,109,110)(H,111,112,113)(H,114,115,116)(H3,81,82,85,87,89,90)(H3,83,84,86,88,91,92)

InChIKey

ZWCXWXYXUVESMC-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16131825