Chem
J-GLOBAL ID：201907007759218690   Nikkaji number：J3.735.258F

6,7,15,16,24,25,33,34-オクタキス[(2-オクチルドデシル)チオ]-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

6,7,15,16,24,25,33,34-オクタキス[(2-オクチルドデシル)チオ]-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
Substance type：
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
Molecular formula： C192H338N8S8
Molecular formula furigana： C192-H338-N8-S8
Molecular weight： 3015.350
InChI： InChI=1S/C192H338N8S8/c1-17-33-49-65-81-89-105-121-137-161(129-113-97-73-57-41-25-9)153-201-177-145-169-170(146-178(177)202-154-162(130-114-98-74-58-42-26-10)138-122-106-90-82-66-50-34-18-2)186-193-185(169)197-187-171-147-179(203-155-163(131-115-99-75-59-43-27-11)139-123-107-91-83-67-51-35-19-3)180(204-156-164(132-116-100-76-60-44-28-12)140-124-108-92-84-68-52-36-20-4)148-172(171)189(194-187)199-191-175-151-183(207-159-167(135-119-103-79-63-47-31-15)143-127-111-95-87-71-55-39-23-7)184(208-160-168(136-120-104-80-64-48-32-16)144-128-112-96-88-72-56-40-24-8)152-176(175)192(196-191)200-190-174-150-182(206-158-166(134-118-102-78-62-46-30-14)142-126-110-94-86-70-54-38-22-6)181(149-173(174)188(195-190)198-186)205-157-165(133-117-101-77-61-45-29-13)141-125-109-93-85-69-53-37-21-5/h145-152,161-168H,17-144,153-160H2,1-16H3,(H2,193,194,195,196,197,198,199,200)
InChI key： GVYWKHGYCMKLAX-UHFFFAOYSA-N
SMILES： C\1/2=N\c3c4cc(c(cc4c([nH]3)/N=C\3/c4cc(c(cc4C(=N3)/N=c\3/c4cc(c(cc4/c(=N/C(=N1)c1cc(c(cc21)SCC(CCCCCCCCCC)CCCCCCCC)SCC(CCCCCCCCCC)CCCCCCCC)/[nH]3)SCC(CCCCCCCCCC)CCCCCCCC)SCC(CCCCCCCCCC)CCCCCCCC)SCC(CCCCCCCCCC)CCCCCCCC)SCC(CCCCCCCCCC)CCCCCCCC)SCC(CCCCCCCCCC)CCCCCCCC)SCC(CCCCCCCCCC)CCCCCCCC
Systematic name  (3)：
  • 6,7,15,16,24,25,33,34-オクタキス[(2-オクチルドデシル)チオ]-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
  • 6,7,15,16,24,25,33,34-オクタキス[(2-オクチルドデシル)スルファニル]-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
  • 6,7,15,16,24,25,33,34-octakis[(2-octyldodecyl)sulfanyl]-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
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