TPPS(35218-75-8) IR1
Product NameTPPS
CAS35218-75-8
Molecular FormulaC44H30N4O12S4
Molecular Weight934.99
InChIInChI=1S/C44H30N4O12S4/c49-61(50,51)29-9-1-25(2-10-29)41-33-17-19-35(45-33)42(26-3-11-30(12-4-26)62(52,53)54)37-21-23-39(47-37)44(28-7-15-32(16-8-28)64(58,59)60)40-24-22-38(48-40)43(36-20-18-34(41)46-36)27-5-13-31(14-6-27)63(55,56)57/h1-24,45,48H,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
InChIKey PBHVCRIXMXQXPD-LWQDQPMZSA-N
SmilesC1(C2=CC=C(S(O)(=O)=O)C=C2)=C2N=C(C(C3=CC=C(S(O)(=O)=O)C=C3)=C3NC(=C(C4=CC=C(S(O)(=O)=O)C=C4)C4=NC(=C(C5=CC=C(S(O)(=O)=O)C=C5)C5NC1=CC=5)C=C4)C=C3)C=C2 |c:26,t:11,29,44|
