70351-95-0
2,3,6,7,10,11-HEXAKIS[NONANOYLOXY]TRIPHENYLENE
Name2,3,6,7,10,11-HEXAKIS[NONANOYLOXY]TRIPHENYLENE
1Identification
【Name】
2,3,6,7,10,11-HEXAKIS[NONANOYLOXY]TRIPHENYLENE
【CAS】
【MDL】
MFCD20528915
【English Synonyms】
【Formula】
C72 H108 O12
【MolWeight】
1165.63
【Inchi】
InChI=1S/C72H108O12/c1-7-13-19-25-31-37-43-67(73)79-61-49-55-56(50-62(61)80-68(74)44-38-32-26-20-14-8-2)58-52-64(82-70(76)46-40-34-28-22-16-10-4)66(84-72(78)48-42-36-30-24-18-12-6)54-60(58)59-53-65(83-71(77)47-41-35-29-23-17-11-5)63(51-57(55)59)81-69(75)45-39-33-27-21-15-9-3/h49-54H,7-48H2,1-6H3
【InChIKey】
InChIKey=OWMFDBWCFBDRIR-UHFFFAOYSA-N
【SMILES】
CCCCCCCCC(=O)Oc1cc2c3cc(c(cc3c4cc(c(cc4c2cc1OC(=O)CCCCCCCC)OC(=O)CCCCCCCC)OC(=O)CCCCCCCC)OC(=O)CCCCCCCC)OC(=O)CCCCCCCC
【MOL File】
2,3,6,7,10,11-HEXAKI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:12
XLogP3:25.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,3,6,7,10,11-HEXAKIS[NONANOYLOXY]TRIPHENYLENE.cml