Chem
J-GLOBAL ID：200907089928083358   Nikkaji number：J2.322.536K

6α,13β-Bis(pentylthio)-6,13-dihydropentacene

6α,13β-ビス(ペンチルチオ)-6,13-ジヒドロペンタセン
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： C32H36S2
Molecular formula furigana： C32-H36-S2
Molecular weight： 484.760
InChI： InChI=1S/C32H36S2/c1-3-5-11-17-33-31-27-19-23-13-7-9-15-25(23)21-29(27)32(34-18-12-6-4-2)30-22-26-16-10-8-14-24(26)20-28(30)31/h7-10,13-16,19-22,31-32H,3-6,11-12,17-18H2,1-2H3/t31-,32-
InChI key： IZJVTIVZWCCCTA-UEOVJWFCSA-N
SMILES： CCCCCS[C@H]1c2cc3ccccc3cc2[C@H](SCCCCC)c2cc3ccccc3cc12
Systematic name  (3)：
  • 6α,13β-ビス(ペンチルチオ)-6,13-ジヒドロペンタセン
  • (6r,13r)-6,13-ビス(ペンチルスルファニル)-6,13-ジヒドロペンタセン
  • (6r,13r)-6,13-bis(pentylsulfanyl)-6,13-dihydropentacene
Other name (1)：
  • 6α,13β-Bis(pentylthio)-6,13-dihydropentacene
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