69079-52-3
2,3,6,7,10,11-HEXAKIS(PENTYLOXY)TRIPHENYLENE
Name2,3,6,7,10,11-HEXAKIS(PENTYLOXY)TRIPHENYLENE
1Identification
【Name】
2,3,6,7,10,11-HEXAKIS(PENTYLOXY)TRIPHENYLENE
【CAS】
【MDL】
MFCD04038065
【English Synonyms】
【Formula】
C48 H72 O6
【MolWeight】
745.091
【Inchi】
InChI=1S/C48H72O6/c1-7-13-19-25-49-43-31-37-38(32-44(43)50-26-20-14-8-2)40-34-46(52-28-22-16-10-4)48(54-30-24-18-12-6)36-42(40)41-35-47(53-29-23-17-11-5)45(33-39(37)41)51-27-21-15-9-3/h31-36H,7-30H2,1-6H3
【InChIKey】
InChIKey=LWHHLYFBQPYIFI-UHFFFAOYSA-N
【SMILES】
CCCCCOc1cc2c3cc(c(cc3c4cc(c(cc4c2cc1OCCCCC)OCCCCC)OCCCCC)OCCCCC)OCCCCC
【MOL File】
2,3,6,7,10,11-HEXAKI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:16.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,3,6,7,10,11-HEXAKIS(PENTYLOXY)TRIPHENYLENE.cml