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: C21H18O11
  • Molecular weight: 446.3610
  • IUPAC Standard InChI:
    • InChI=1S/C21H18O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18 ,19-,21 /m0/s1
  • IUPAC Standard InChIKey: JBFOLLJCGUCDQP-COLDYULTSA-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.
  • Permanent link for this search. Use this link for bookmarking this species for future reference.

Contents of the identifier

Identifier version: 1

Main section

  • Formula: C21H18O11
  • Connectivity: 22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29
  • Hydrogen: 1-7,16-19,21-23,25-27H,(H,28,29)
  • sp3 Stereo: 16-,17-,18 ,19-,21
  • Stereo type: 1

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