Chem
J-GLOBAL ID：200907028390911825   Nikkaji number：J1.404.468J

1,8-[Thiobismethylenebis(3,1-phenylene)bisethynylene]-10-methoxyanthracene

1,8-[チオビスメチレンビス(3,1-フェニレン)ビスエチニレン]-10-メトキシアントラセン
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： C33H22OS
Molecular formula furigana： C33-H22-O-S
Molecular weight： 466.600
InChI： InChI=1S/C33H22OS/c1-34-33-29-12-4-10-27-16-14-23-6-2-8-25(18-23)21-35-22-26-9-3-7-24(19-26)15-17-28-11-5-13-30(33)32(28)20-31(27)29/h2-13,18-20H,21-22H2,1H3
InChI key： KGSISZQDBCQFET-UHFFFAOYSA-N
SMILES： COc1c2cccc3C#Cc4cccc(CSCc5cccc(c5)C#Cc5cccc1c5cc23)c4
Systematic name  (3)：
  • 1,8-[チオビスメチレンビス(3,1-フェニレン)ビスエチニレン]-10-メトキシアントラセン
  • 33-メトキシ-25-チアヘキサシクロ[25.3.1.18,12.119,23.04,9.011,16]トリトリアコンタ-1(31),4,6,8(33),9,11(16),12,14,19,21,23(32),27,29-トリデカエン-2,17-ジイン
  • 33-methoxy-25-thiahexacyclo[25.3.1.18,12.119,23.04,9.011,16]tritriaconta-1(31),4,6,8(33),9,11(16),12,14,19,21,23(32),27,29-tridecaen-2,17-diyne
Other name (1)：
  • 1,8-[Thiobismethylenebis(3,1-phenylene)bisethynylene]-10-methoxyanthracene
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