Chem
J-GLOBAL ID：201107093538264691   Nikkaji number：J2.909.404G

4,5-[2,5-Dibutoxy-1,4-phenylenebis[methylenethio(2-thioxo-1,3-dithiol-4,5-diyl)thiomethylene(2,5-dibutoxy-1,4-phenylene)methylenethio(2-thioxo-1,3-dithiol-4,5-diyl)thiomethylene(2,5-dibutoxy-1,4-phenylene)methylenethio]]-1,3-dithiol-2-thione

4,5-[2,5-ジブトキシ-1,4-フェニレンビス[メチレンチオ(2-チオキソ-1,3-ジチオール-4,5-ジイル)チオメチレン(2,5-ジブトキシ-1,4-フェニレン)メチレンチオ(2-チオキソ-1,3-ジチオール-4,5-ジイル)チオメチレン(2,5-ジブトキシ-1,4-フェニレン)メチレンチオ]]-1,3-ジチオール-2-チオン
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： C95H120O10S25
Molecular formula furigana： C95-H120-O10-S25
Molecular weight： 2223.500
InChI： InChI=1S/C95H120O10S25/c1-11-21-31-96-71-41-62-52-112-83-84(124-92(107)123-83)114-54-64-44-76(101-36-26-16-6)66(46-75(64)100-35-25-15-5)56-116-87-88(128-94(109)127-87)118-58-68-48-80(105-40-30-20-10)70(50-79(68)104-39-29-19-9)60-120-90-89(129-95(110)130-90)119-59-69-49-77(102-37-27-17-7)67(47-78(69)103-38-28-18-8)57-117-86-85(125-93(108)126-86)115-55-65-45-73(98-33-23-13-3)63(43-74(65)99-34-24-14-4)53-113-82-81(121-91(106)122-82)111-51-61(71)42-72(62)97-32-22-12-2/h41-50H,11-40,51-60H2,1-10H3
InChI key： YCKUSUIUBRGZEG-UHFFFAOYSA-N
SMILES： CCCCOc1cc2CSc3sc(=S)sc3SCc3cc(OCCCC)c(CSc4sc(=S)sc4SCc4cc(OCCCC)c(CSc5sc(=S)sc5SCc5cc(OCCCC)c(CSc6sc(=S)sc6SCc6cc(OCCCC)c(CSc7sc(=S)sc7SCc1cc2OCCCC)cc6OCCCC)cc5OCCCC)cc4OCCCC)cc3OCCCC
Systematic name  (3)：
  • 4,5-[2,5-ジブトキシ-1,4-フェニレンビス[メチレンチオ(2-チオキソ-1,3-ジチオール-4,5-ジイル)チオメチレン(2,5-ジブトキシ-1,4-フェニレン)メチレンチオ(2-チオキソ-1,3-ジチオール-4,5-ジイル)チオメチレン(2,5-ジブトキシ-1,4-フェニレン)メチレンチオ]]-1,3-ジチオール-2-チオン
  • 12,25,38,51,64,66,68,70,72,74-デカブトキシ-3,5,7,9,16,18,20,22,29,31,33,35,42,44,46,48,55,57,59,61-イコサチアウンデカシクロ[61.2.2.211,14.224,27.237,40.250,53.04,8.017,21.030,34.043,47.056,60]ペンタヘプタコンタ-1(65),4(8),11,13,17(21),24,26,30(34),37,39,43(47),50,52,56(60),63,66,68,70,72,74-イコサエン-6,19,32,45,58-ペンタチオン
  • 12,25,38,51,64,66,68,70,72,74-decabutoxy-3,5,7,9,16,18,20,22,29,31,33,35,42,44,46,48,55,57,59,61-icosathiaundecacyclo[61.2.2.211,14.224,27.237,40.250,53.04,8.017,21.030,34.043,47.056,60]pentaheptaconta-1(65),4(8),11,13,17(21),24,26,30(34),37,39,43(47),50,52,56(60),63,66,68,70,72,74-icosaene-6,19,32,45,58-pentathione
Other name (1)：
  • 4,5-[2,5-Dibutoxy-1,4-phenylenebis[methylenethio(2-thioxo-1,3-dithiol-4,5-diyl)thiomethylene(2,5-dibutoxy-1,4-phenylene)methylenethio(2-thioxo-1,3-dithiol-4,5-diyl)thiomethylene(2,5-dibutoxy-1,4-phenylene)methylenethio]]-1,3-dithiol-2-thione
Thsaurus map：
Thesaurus Map

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