847227-41-2
TRIS-[11-PENTAKIS-(4'-ETHYLPHENYLETHYNYL)PHENOXYUNDECYL]TRIMESATE
NameTRIS-[11-PENTAKIS-(4'-ETHYLPHENYLETHYNYL)PHENOXYUNDECYL]TRIMESATE
1Identification
【Name】
TRIS-[11-PENTAKIS-(4'-ETHYLPHENYLETHYNYL)PHENOXYUNDECYL]TRIMESATE
【CAS】
【MDL】
MFCD05864399
【English Synonyms】
【Formula】
C210 H204 O9
【MolWeight】
2871.91
【Inchi】
InChI=1S/C210H204O9/c1-16-157-58-88-172(89-59-157)118-133-190-193(136-121-175-94-64-160(19-4)65-95-175)199(142-127-181-106-76-166(25-10)77-107-181)205(200(143-128-182-108-78-167(26-11)79-109-182)194(190)137-122-176-96-66-161(20-5)67-97-176)214-148-52-46-40-34-31-37-43-49-55-151-217-208(211)187-154-188(209(212)218-152-56-50-44-38-32-35-41-47-53-149-215-206-201(144-129-183-110-80-168(27-12)81-111-183)195(138-123-177-98-68-162(21-6)69-99-177)191(134-119-173-90-60-158(17-2)61-91-173)196(139-124-178-100-70-163(22-7)71-101-178)202(206)145-130-184-112-82-169(28-13)83-113-184)156-189(155-187)210(213)219-153-57-51-45-39-33-36-42-48-54-150-216-207-203(146-131-185-114-84-170(29-14)85-115-185)197(140-125-179-102-72-164(23-8)73-103-179)192(135-120-174-92-62-159(18-3)63-93-174)198(141-126-180-104-74-165(24-9)75-105-180)204(207)147-132-186-116-86-171(30-15)87-117-186/h58-117,154-156H,16-57,148-153H2,1-15H3
【InChIKey】
InChIKey=CONSKWHVGZGIDJ-UHFFFAOYSA-N
【SMILES】
CCc1ccc(cc1)C#Cc2c(c(c(c(c2C#Cc3ccc(cc3)CC)C#Cc4ccc(cc4)CC)OCCCCCCCCCCCOC(=O)c5cc(cc(c5)C(=O)OCCCCCCCCCCCOc6c(c(c(c(c6C#Cc7ccc(cc7)CC)C#Cc8ccc(cc8)CC)C#Cc9ccc(cc9)CC)C#Cc1ccc(cc1)CC)C#Cc1ccc(cc1)CC)C(=O)OCCCCCCCCCCCOc1c(c(c(c(c1C#Cc1ccc(cc1)CC)C#Cc1ccc(cc1)CC)C#Cc1ccc(cc1)CC)C#Cc1ccc(cc1)CC)C#Cc1ccc(cc1)CC)C#Cc1ccc(cc1)CC)C#Cc1ccc(cc1)CC
【MOL File】
TRIS-[11-PENTAKIS-(4….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:9
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
TRIS-[11-PENTAKIS-(4'-ETHYLPHENYLETHYNYL)PHENOXYUNDECYL]TRIMESATE.cml