Chem
J-GLOBAL ID:200907050510417256   Nikkaji number:J605.074C

2,2-Dicyano-3-(phenylthio)-1,1-cyclobutanedicarboxylic acid dimethyl ester

2,2-ジシアノ-3-(フェニルチオ)-1,1-シクロブタンジカルボン酸ジメチル
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: C16H14N2O4S
Molecular formula furigana: C16-H14-N2-O4-S
Molecular weight: 330.360
InChI: InChI=1S/C16H14N2O4S/c1-21-13(19)16(14(20)22-2)8-12(15(16,9-17)10-18)23-11-6-4-3-5-7-11/h3-7,12H,8H2,1-2H3
InChI key: HVTAYQYMESGDEJ-UHFFFAOYSA-N
SMILES: COC(=O)C1(CC(Sc2ccccc2)C1(C#N)C#N)C(=O)OC
Systematic name  (3):
  • 2,2-ジシアノ-3-(フェニルチオ)-1,1-シクロブタンジカルボン酸ジメチル
  • 1,1-ジメチル 2,2-ジシアノ-3-(フェニルスルファニル)シクロブタン-1,1-ジカルボキシラート
  • 1,1-dimethyl 2,2-dicyano-3-(phenylsulfanyl)cyclobutane-1,1-dicarboxylate
Other name (1):
  • 2,2-Dicyano-3-(phenylthio)-1,1-cyclobutanedicarboxylic acid dimethyl ester
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