Cas no 528603-91-0 (Benzoic acid,3,5-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-)

Benzoic acid,3,5-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]- structure
528603-91-0 structure
Product Name:Benzoic acid,3,5-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-
CAS No:528603-91-0
MF:C217H186O32
MW:3305.77960348129
CID:1579450
Update Time:2024-08-24

Benzoic acid,3,5-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,3,5-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-
    • Benzoic acid, 3,5-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-
    • Inchi： 1S/C217H186O32/c218-217(219)186-109-215(248-154-184-105-211(244-150-180-97-203(236-142-172-81-187(220-126-156-49-17-1-18-50-156)111-188(82-172)221-127-157-51-19-2-20-52-157)119-204(98-180)237-143-173-83-189(222-128-158-53-21-3-22-54-158)112-190(84-173)223-129-159-55-23-4-24-56-159)123-212(106-184)245-151-181-99-205(238-144-174-85-191(224-130-160-57-25-5-26-58-160)113-192(86-174)225-131-161-59-27-6-28-60-161)120-206(100-181)239-145-175-87-193(226-132-162-61-29-7-30-62-162)114-194(88-175)227-133-163-63-31-8-32-64-163)125-216(110-186)249-155-185-107-213(246-152-182-101-207(240-146-176-89-195(228-134-164-65-33-9-34-66-164)115-196(90-176)229-135-165-67-35-10-36-68-165)121-208(102-182)241-147-177-91-197(230-136-166-69-37-11-38-70-166)116-198(92-177)231-137-167-71-39-12-40-72-167)124-214(108-185)247-153-183-103-209(242-148-178-93-199(232-138-168-73-41-13-42-74-168)117-200(94-178)233-139-169-75-43-14-44-76-169)122-210(104-183)243-149-179-95-201(234-140-170-77-45-15-46-78-170)118-202(96-179)235-141-171-79-47-16-48-80-171/h1-125H,126-155H2,(H,218,219)
    • InChI Key： GMYNQJSCAVJBNT-UHFFFAOYSA-N
    • SMILES： C(O)(=O)C1=CC(OCC2=CC(OCC3=CC(OCC4=CC(OCC5=CC=CC=C5)=CC(OCC5=CC=CC=C5)=C4)=CC(OCC4=CC(OCC5=CC=CC=C5)=CC(OCC5=CC=CC=C5)=C4)=C3)=CC(OCC3=CC(OCC4=CC(OCC5=CC=CC=C5)=CC(OCC5=CC=CC=C5)=C4)=CC(OCC4=CC(OCC5=CC=CC=C5)=CC(OCC5=CC=CC=C5)=C4)=C3)=C2)=CC(OCC2=CC(OCC3=CC(OCC4=CC(OCC5=CC=CC=C5)=CC(OCC5=CC=CC=C5)=C4)=CC(OCC4=CC(OCC5=CC=CC=C5)=CC(OCC5=CC=CC=C5)=C4)=C3)=CC(OCC3=CC(OCC4=CC(OCC5=CC=CC=C5)=CC(OCC5=CC=CC=C5)=C4)=CC(OCC4=CC(OCC5=CC=CC=C5)=CC(OCC5=CC=CC=C5)=C4)=C3)=C2)=C1

Computed Properties

  • Exact Mass: 3303.29318

Experimental Properties

  • Density: 1.250±0.06 g/cm3(Predicted)
  • PSA: 314.2
  • pka: 3.84±0.10(Predicted)

Benzoic acid,3,5-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]- Related Literature

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