What Is CDXML file format?

CDXML (ChemDraw XML) is the XML version of chemical structure file format used by ChemDraw, developed by CambridgeSoft (acquired by PerkinElmer in 2011).

CDXML can be used to store molecule structures and chemical reactions.

Example of a CDXML file for a reaction:

<?xml version="1.0" encoding="UTF-8"?>
<!DOCTYPE CDXML SYSTEM "http://www.cambridgesoft.com/xml/cdxml.dtd">
<CDXML BondLength="30.000000" LabelFont="3" CaptionFont="4">
  <fonttable id="1">
    <font id="2" charset="utf-8" name="Arial"/>
    <font id="3" charset="utf-8" name="Times New Roman"/>
  </fonttable>
  <colortable>
    <color r="1" g="1" b="1"/>
    <color r="0" g="0" b="0"/>
    <color r="1" g="0" b="0"/>
    <color r="1" g="1" b="0"/>
    <color r="0" g="1" b="0"/>
    <color r="0" g="1" b="1"/>
    <color r="0" g="0" b="1"/>
    <color r="1" g="0" b="1"/>
    <color r="0.5" g="0.5" b="0.5"/>
  </colortable>
  <page HeightPages="1" WidthPages="1">
    <fragment id="4">
      <n id="5" Element="7" NumHydrogens="2" p="56.521835 69.751305">
        <t p="56.521835 69.751305" LabelJustification="Left">
          <s font="3" size="10" face="96">NH</s>
          <s font="3" size="10" face="32">2</s>
        </t>
      </n>
      <n id="6" Element="7" NumHydrogens="1" p="82.502594 84.751305">
        <t p="82.502594 84.751305" LabelJustification="Left">
          <s font="3" size="10" face="96">NH</s>
        </t>
      </n>
      <n id="7" Element="17" NumHydrogens="0" p="108.483360 69.751305">
        <t p="108.483360 69.751305" LabelJustification="Left">
          <s font="3" size="10" face="96">Cl</s>
        </t>
      </n>
      <b id="19" B="5" E="6"/>
      <b id="20" B="6" E="7"/>
    </fragment>
    <fragment id="8">
      <n id="9" Element="7" NumHydrogens="2" p="195.483353 78.751305">
        <t p="195.483353 78.751305" LabelJustification="Left">
          <s font="3" size="10" face="96">NH</s>
          <s font="3" size="10" face="32">2</s>
        </t>
      </n>
      <n id="10" Element="7" NumHydrogens="2" p="225.483353 78.751305">
        <t p="225.483353 78.751305" LabelJustification="Left">
          <s font="3" size="10" face="96">NH</s>
          <s font="3" size="10" face="32">2</s>
        </t>
      </n>
      <b id="21" B="9" E="10"/>
    </fragment>
    <fragment id="11">
      <n id="12" Element="17" NumHydrogens="1" p="291.483368 80.626305">
        <t p="291.483368 80.626305" LabelJustification="Left">
          <s font="3" size="10" face="96">ClH</s>
        </t>
      </n>
    </fragment>
    <arrow id="13" BoundingBox="157.233368 78.188805 127.233368 77.251305" FillType="None" ArrowheadType="Solid" HeadSize="2250" ArrowheadWidth="563" ArrowheadHead="Full" ArrowheadCenterSize="25" Head3D="157.233368 78.188805 0.000000" Tail3D="127.233368 77.251305 0.000000"/>
    <graphic id="16" BoundingBox="259.233368 82.501305 259.233368 75.001305" GraphicType="Symbol" SymbolType="Plus"/>
    <scheme>
      <step ReactionStepReactants="4" ReactionStepProducts="8 11" ReactionStepArrows="13"/>
    </scheme>
  </page>
</CDXML>

For more information, see CDXML Document Website.

⇒ MRV (ChemAxon Marvin Document) for Reactions

⇐ CML (Chemical Markup Language) for Reactions

⇑ Reaction Presentations and File Formats

⇑⇑ Reaction FAQ