Chem
J-GLOBAL ID：200907070410865686
Nikkaji number：J1.837.327K
21,22,71,72,121,122,171,172-Octakis(1,12,15,18,21-pentaoxadocosane-1-yl)phthalocyanine
21,22,71,72,121,122,171,172-オクタキス(1,12,15,18,21-ペンタオキサドコサン-1-イル)フタロシアニン
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： C168H290N8O40
Molecular formula furigana： C168-H290-N8-O40
Molecular weight： 3062.184
InChI：
InChI=1S/C168H290N8O40/c1-177-97-105-193-129-137-201-121-113-185-81-57-41-25-9-17-33-49-65-89-209-149-77-73-145-153(157(149)213-93-69-53-37-21-13-29-45-61-85-189-117-125-205-141-133-197-109-101-181-5)165-169-161(145)174-166-155-147(75-79-151(211-91-67-51-35-19-11-27-43-59-83-187-115-123-203-139-131-195-107-99-179-3)159(155)215-95-71-55-39-23-15-31-47-63-87-191-119-127-207-143-135-199-111-103-183-7)163(171-166)176-168-156-148(76-80-152(212-92-68-52-36-20-12-28-44-60-84-188-116-124-204-140-132-196-108-100-180-4)160(156)216-96-72-56-40-24-16-32-48-64-88-192-120-128-208-144-136-200-112-104-184-8)164(172-168)175-167-154-146(162(170-167)173-165)74-78-150(210-90-66-50-34-18-10-26-42-58-82-186-114-122-202-138-130-194-106-98-178-2)158(154)214-94-70-54-38-22-14-30-46-62-86-190-118-126-206-142-134-198-110-102-182-6/h73-80H,9-72,81-144H2,1-8H3,(H2,169,170,171,172,173,174,175,176)
InChI key：
ILXOTRFRDIIMTG-UHFFFAOYSA-N
SMILES：
COCCOCCOCCOCCCCCCCCCCOc1ccc2/C/3=N/c4[nH]c(/N=C/5\N=C(/N=c/6\[nH]/c(=N\C(=N3)c2c1OCCCCCCCCCCOCCOCCOCCOC)/c1c6c(OCCCCCCCCCCOCCOCCOCCOC)c(OCCCCCCCCCCOCCOCCOCCOC)cc1)c1c5c(OCCCCCCCCCCOCCOCCOCCOC)c(OCCCCCCCCCCOCCOCCOCCOC)cc1)c1c4c(OCCCCCCCCCCOCCOCCOCCOC)c(OCCCCCCCCCCOCCOCCOCCOC)cc1
Systematic name (3)：
- 21,22,71,72,121,122,171,172-オクタキス(1,12,15,18,21-ペンタオキサドコサン-1-イル)フタロシアニン
- 5,6,14,15,23,24,32,33-オクタキス(2,5,8,11-テトラオキサヘンイコサン-21-イルオキシ)-2,11,20,29,37,38,39,40-オクタアザノナシクロ[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]テトラコンタ-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-ノナデカエン
- 5,6,14,15,23,24,32,33-octakis(2,5,8,11-tetraoxahenicosan-21-yloxy)-2,11,20,29,37,38,39,40-octaazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene
- 21,22,71,72,121,122,171,172-Octakis(1,12,15,18,21-pentaoxadocosane-1-yl)phthalocyanine
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