Chem
J-GLOBAL ID：200907092122916032   Nikkaji number：J2.677.190K

1-[4-[4-[4-(Cyclopentadienide-1-ylethynyl)phenylethynyl]phenylethynyl]phenyl]adamantane-3,5,7-trismethanethiol

1-[4-[4-[4-(シクロペンタジエニド-1-イルエチニル)フェニルエチニル]フェニルエチニル]フェニル]アダマンタン-3,5,7-トリスメタンチオール
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： C42H36S3
Molecular formula furigana： C42-H36-S3
Molecular weight： 636.930
InChI： InChI=1S/C42H36S3/c43-29-39-23-40(30-44)25-41(24-39,31-45)28-42(26-39,27-40)38-21-19-37(20-22-38)18-17-36-15-13-35(14-16-36)12-11-34-9-7-33(8-10-34)6-5-32-3-1-2-4-32/h1-3,7-10,13-16,19-22,43-45H,23-31H2/t39-,40+,41?,42+
InChI key： YBYAAOCCKKUTEV-GXQBSACBSA-N
SMILES： SCC12C[C@@]3(CS)C[C@@](CS)(C1)C[C@@](C2)(C3)c1ccc(cc1)C#Cc1ccc(cc1)C#Cc1ccc(cc1)C#CC1=C=CC=C1
Systematic name  (3)：
  • 1-[4-[4-[4-(シクロペンタジエニド-1-イルエチニル)フェニルエチニル]フェニルエチニル]フェニル]アダマンタン-3,5,7-トリスメタンチオール
  • [(5s)-3-(4-{2-[4-(2-{4-[2-(シクロペンタ-1,2,4-トリエン-1-イル)エチニル]フェニル}エチニル)フェニル]エチニル}フェニル)-5,7-ビス(スルファニルメチル)アダマンタン-1-イル]メタンチオール
  • [(5s)-3-(4-{2-[4-(2-{4-[2-(cyclopenta-1,2,4-trien-1-yl)ethynyl]phenyl}ethynyl)phenyl]ethynyl}phenyl)-5,7-bis(sulfanylmethyl)adamantan-1-yl]methanethiol
Other name (1)：
  • 1-[4-[4-[4-(Cyclopentadienide-1-ylethynyl)phenylethynyl]phenylethynyl]phenyl]adamantane-3,5,7-trismethanethiol
Thsaurus map：
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