Chem
J-GLOBAL ID：200907001177231262   Nikkaji number：J2.586.953B

N,N′-Bis[11-(methoxymethylthio)-3,6,9-trioxaundecane-1-yl]-1,6,7,12-tetraphenoxyperylene-3,4:9,10-bis(dicarbimide)

N,N′-ビス[11-(メトキシメチルチオ)-3,6,9-トリオキサウンデカン-1-イル]-1,6,7,12-テトラフェノキシペリレン-3,4:9,10-ビス(ジカルボイミド)
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： C68H66N2O16S2
Molecular formula furigana： C68-H66-N2-O16-S2
Molecular weight： 1231.390
InChI： InChI=1S/C68H66N2O16S2/c1-75-43-87-37-35-81-33-31-79-29-27-77-25-23-69-65(71)49-39-53(83-45-15-7-3-8-16-45)59-61-55(85-47-19-11-5-12-20-47)41-51-58-52(68(74)70(67(51)73)24-26-78-28-30-80-32-34-82-36-38-88-44-76-2)42-56(86-48-21-13-6-14-22-48)62(64(58)61)60-54(84-46-17-9-4-10-18-46)40-50(66(69)72)57(49)63(59)60/h3-22,39-42H,23-38,43-44H2,1-2H3
InChI key： XXWRCUKIOQEQIH-UHFFFAOYSA-N
SMILES： COCSCCOCCOCCOCCn1c(=O)c2cc(Oc3ccccc3)c3c4c(Oc5ccccc5)cc5c6c(cc(Oc7ccccc7)c(c7c(Oc8ccccc8)cc(c2c37)c1=O)c46)c(=O)n(CCOCCOCCOCCSCOC)c5=O
Systematic name  (3)：
  • N,N′-ビス[11-(メトキシメチルチオ)-3,6,9-トリオキサウンデカン-1-イル]-1,6,7,12-テトラフェノキシペリレン-3,4:9,10-ビス(ジカルボイミド)
  • 11,14,22,26-テトラフェノキシ-7,18-ビス(2,7,10,13-テトラオキサ-4-チアペンタデカン-15-イル)-7,18-ジアザヘプタシクロ[14.6.2.22,5.03,12.04,9.013,23.020,24]ヘキサコサ-1(22),2(26),3,5(25),9,11,13,15,20,23-デカエン-6,8,17,19-テトラオン
  • 11,14,22,26-tetraphenoxy-7,18-bis(2,7,10,13-tetraoxa-4-thiapentadecan-15-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone
Other name (1)：
  • N,N′-Bis[11-(methoxymethylthio)-3,6,9-trioxaundecane-1-yl]-1,6,7,12-tetraphenoxyperylene-3,4:9,10-bis(dicarbimide)
Thsaurus map：
Thesaurus Map

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