Chem
J-GLOBAL ID：200907061292246497
Nikkaji number：J2.677.191I
1-[4-[4-(Cyclopentadienide-1-ylethynyl)phenylethynyl]phenyl]adamantane-3,5,7-trismethanethiol
1-[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]アダマンタン-3,5,7-トリスメタンチオール
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
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
Molecular formula： C34H32S3
Molecular formula furigana： C34-H32-S3
Molecular weight： 536.810
InChI：
InChI=1S/C34H32S3/c35-23-31-17-32(24-36)19-33(18-31,25-37)22-34(20-31,21-32)30-15-13-29(14-16-30)12-11-28-9-7-27(8-10-28)6-5-26-3-1-2-4-26/h1-3,7-10,13-16,35-37H,17-25H2/t31-,32+,33?,34+
InChI key：
PWLAIJGCMUMPKW-GROYMGRBSA-N
SMILES：
SCC12C[C@@]3(CS)C[C@@](CS)(C1)C[C@@](C2)(C3)c1ccc(cc1)C#Cc1ccc(cc1)C#CC1=C=CC=C1
Systematic name (3)：
- 1-[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]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-(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]-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-(cyclopenta-1,2,4-trien-1-yl)ethynyl]phenyl}ethynyl)phenyl]-5,7-bis(sulfanylmethyl)adamantan-1-yl]methanethiol
- 1-[4-[4-(Cyclopentadienide-1-ylethynyl)phenylethynyl]phenyl]adamantane-3,5,7-trismethanethiol
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