Chem
J-GLOBAL ID:200907092519924830
Nikkaji number:J2.322.537I
6α,13β-Bis(octylthio)-6,13-dihydropentacene
6α,13β-ビス(オクチルチオ)-6,13-ジヒドロペンタセン
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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:
C38 H48 S2
Molecular formula furigana:
C38-H48-S2
Molecular weight:
568.920
InChI:
InChI=1S/C38H48S2/c1-3-5-7-9-11-17-23-39-37-33-25-29-19-13-15-21-31(29)27-35(33)38(40-24-18-12-10-8-6-4-2)36-28-32-22-16-14-20-30(32)26-34(36)37/h13-16,19-22,25-28,37-38H,3-12,17-18,23-24H2,1-2H3/t37-,38-
InChI key:
WOOPKYHIRVACRT-GTXVXJEKSA-N
SMILES:
CCCCCCCCS[C@H]1c2cc3ccccc3cc2[C@H](SCCCCCCCC)c2cc3ccccc3cc12
Systematic name (3):
6α,13β-ビス(オクチルチオ)-6,13-ジヒドロペンタセン
(6r,13r)-6,13-ビス(オクチルスルファニル)-6,13-ジヒドロペンタセン
(6r,13r)-6,13-bis(octylsulfanyl)-6,13-dihydropentacene
Other name (1):
6α,13β-Bis(octylthio)-6,13-dihydropentacene
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