Information From The InChI - The NIST WebBook

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Information from the InChI

There are no matching entries in the database for this IUPAC International Chemical Identifier. The following information was obtained from the identifier.

  • Formula: C7H8O3S·C2H4O2·C2H6O2
  • Molecular weight: 294.321
  • IUPAC Standard InChI:
    • InChI=1S/C7H8O3S.C2H4O2.C2H6O2/c1-6-2-4-7(5-3-6)11(8,9)10;1-2(3)4;3-1-2-4/h2-5H,1H3,(H,8,9,10);1H3,(H,3,4);3-4H,1-2H2
  • IUPAC Standard InChIKey: RMBIXDMMQSCGJL-UHFFFAOYSA-N
  • Connectivity: Structure image derived from InChI string
  • 2-d Mol File from the identifier
  • Canonical atom numbers: Image with canonical numbers derived from InChI string Note: stereochemistry is currently not indicated in the items above.

Contents of the identifier

Identifier version: 1S

Main section

  • Formula: C7H8O3S.C2H4O2.C2H6O2
  • Connectivity: 1-6-2-4-7(5-3-6)11(8,9)10;1-2(3)4;3-1-2-4
  • Hydrogen: 2-5H,1H3,(H,8,9,10);1H3,(H,3,4);3-4H,1-2H2

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