Chem
J-GLOBAL ID：200907016290036490
Nikkaji number：J2.244.153A
1,3-Bis[3,5-bis[3,5-bis[3,5-bis(benzyloxy)benzyloxy]benzyloxy]benzyl]-1H-imidazole-3-ium
1,3-ビス[3,5-ビス[3,5-ビス[3,5-ビス(ベンジルオキシ)ベンジルオキシ]ベンジルオキシ]ベンジル]-1H-イミダゾール-3-イウム
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C213H185N[N+]O28
Molecular formula furigana： C213-H185-N2-O28
Molecular weight： 3220.808
InChI：
InChI=1S/C213H185N2O28/c1-17-49-156(50-18-1)127-216-190-87-174(88-191(113-190)217-128-157-51-19-2-20-52-157)147-236-206-103-182(104-207(121-206)237-148-175-89-192(218-129-158-53-21-3-22-54-158)114-193(90-175)219-130-159-55-23-4-24-56-159)143-232-186-83-172(84-187(111-186)233-144-183-105-208(238-149-176-91-194(220-131-160-57-25-5-26-58-160)115-195(92-176)221-132-161-59-27-6-28-60-161)122-209(106-183)239-150-177-93-196(222-133-162-61-29-7-30-62-162)116-197(94-177)223-134-163-63-31-8-32-64-163)125-214-81-82-215(155-214)126-173-85-188(234-145-184-107-210(240-151-178-95-198(224-135-164-65-33-9-34-66-164)117-199(96-178)225-136-165-67-35-10-36-68-165)123-211(108-184)241-152-179-97-200(226-137-166-69-37-11-38-70-166)118-201(98-179)227-138-167-71-39-12-40-72-167)112-189(86-173)235-146-185-109-212(242-153-180-99-202(228-139-168-73-41-13-42-74-168)119-203(100-180)229-140-169-75-43-14-44-76-169)124-213(110-185)243-154-181-101-204(230-141-170-77-45-15-46-78-170)120-205(102-181)231-142-171-79-47-16-48-80-171/h1-124,155H,125-154H2/q+1
InChI key：
BXDYODTWBBYYSY-UHFFFAOYSA-N
SMILES：
C(Oc1cc(COc2cc(COc3cc(Cn4cc[n+](Cc5cc(OCc6cc(OCc7cc(OCc8ccccc8)cc(OCc8ccccc8)c7)cc(OCc7cc(OCc8ccccc8)cc(OCc8ccccc8)c7)c6)cc(OCc6cc(OCc7cc(OCc8ccccc8)cc(OCc8ccccc8)c7)cc(OCc7cc(OCc8ccccc8)cc(OCc8ccccc8)c7)c6)c5)c4)cc(OCc4cc(OCc5cc(OCc6ccccc6)cc(OCc6ccccc6)c5)cc(OCc5cc(OCc6ccccc6)cc(OCc6ccccc6)c5)c4)c3)cc(OCc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)c2)cc(OCc2ccccc2)c1)c1ccccc1
Systematic name (3)：
- 1,3-ビス[3,5-ビス[3,5-ビス[3,5-ビス(ベンジルオキシ)ベンジルオキシ]ベンジルオキシ]ベンジル]-1H-イミダゾール-3-イウム
- 1,3-ビス({[3,5-ビス({[3,5-ビス({[3,5-ビス(ベンジルオキシ)フェニル]メトキシ})フェニル]メトキシ})フェニル]メチル})-1H-イミダゾール-3-イウム
- 1,3-bis({[3,5-bis({[3,5-bis({[3,5-bis(benzyloxy)phenyl]methoxy})phenyl]methoxy})phenyl]methyl})-1H-imidazol-3-ium
- 1,3-Bis[3,5-bis[3,5-bis[3,5-bis(benzyloxy)benzyloxy]benzyloxy]benzyl]-1H-imidazole-3-ium
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