Chem
J-GLOBAL ID：202007016074608517   Nikkaji number：J3.753.598B

8,20-ビス(5-ブロモチオフェン-2-イル)-4,16-ビス(2-デシルテトラデシル)-9,12,21,24-テトラチア-4,7,16,19-テトラアザヘキサシクロ[11.11.0.02,11.06,10.014,23.018,22]テトラコサ-1(13),2(11),6(10),7,14(23),18(22),19-ヘプタエン-3,5,15,17-テトラオン

8,20-ビス(5-ブロモチオフェン-2-イル)-4,16-ビス(2-デシルテトラデシル)-9,12,21,24-テトラチア-4,7,16,19-テトラアザヘキサシクロ[11.11.0.02,11.06,10.014,23.018,22]テトラコサ-1(13),2(11),6(10),7,14(23),18(22),19-ヘプタエン-3,5,15,17-テトラオン
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： C72H102Br2N4O4S6
Molecular formula furigana： C72-H102-BR2-N4-O4-S6
Molecular weight： 1439.800
InChI： InChI=1S/C72H102Br2N4O4S6/c1-5-9-13-17-21-25-27-31-35-39-43-51(41-37-33-29-23-19-15-11-7-3)49-77-69(79)57-61-62(86-63(57)65-59(71(77)81)75-67(87-65)53-45-47-55(73)83-53)58-64(85-61)66-60(76-68(88-66)54-46-48-56(74)84-54)72(82)78(70(58)80)50-52(42-38-34-30-24-20-16-12-8-4)44-40-36-32-28-26-22-18-14-10-6-2/h45-48,51-52H,5-44,49-50H2,1-4H3
InChI key： ABOYHWWMMBQKOG-UHFFFAOYSA-N
SMILES： s1c2c(c3sc4c(c13)c(=O)n(c(=O)c1nc(sc41)c1sc(cc1)Br)CC(CCCCCCCCCCCC)CCCCCCCCCC)c(=O)n(c(=O)c1nc(sc21)c1sc(cc1)Br)CC(CCCCCCCCCC)CCCCCCCCCCCC
Systematic name  (2)：
  • 8,20-ビス(5-ブロモチオフェン-2-イル)-4,16-ビス(2-デシルテトラデシル)-9,12,21,24-テトラチア-4,7,16,19-テトラアザヘキサシクロ[11.11.0.02,11.06,10.014,23.018,22]テトラコサ-1(13),2(11),6(10),7,14(23),18(22),19-ヘプタエン-3,5,15,17-テトラオン
  • 8,20-bis(5-bromothiophen-2-yl)-4,16-bis(2-decyltetradecyl)-9,12,21,24-tetrathia-4,7,16,19-tetraazahexacyclo[11.11.0.02,11.06,10.014,23.018,22]tetracosa-1(13),2(11),6(10),7,14(23),18(22),19-heptaene-3,5,15,17-tetrone
Thsaurus map：
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