InChI


Click here for a complete list of operations.

InChIToSMILES

Convert InChI to SMILES. Uses OpenBabel internally.

Test

To test the operation using the HTTP POST protocol, click the 'Invoke' button.
Parameter Value
inchi:

SOAP 1.1

The following is a sample SOAP 1.1 request and response. The placeholders shown need to be replaced with actual values.

POST /InChI.asmx HTTP/1.1
Host: www.chemspider.com
Content-Type: text/xml; charset=utf-8
Content-Length: length
SOAPAction: "http://www.chemspider.com/InChIToSMILES"

<?xml version="1.0" encoding="utf-8"?>
<soap:Envelope xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns:xsd="http://www.w3.org/2001/XMLSchema" xmlns:soap="http://schemas.xmlsoap.org/soap/envelope/">
  <soap:Body>
    <InChIToSMILES xmlns="http://www.chemspider.com/">
      <inchi>string</inchi>
    </InChIToSMILES>
  </soap:Body>
</soap:Envelope>
HTTP/1.1 200 OK
Content-Type: text/xml; charset=utf-8
Content-Length: length

<?xml version="1.0" encoding="utf-8"?>
<soap:Envelope xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns:xsd="http://www.w3.org/2001/XMLSchema" xmlns:soap="http://schemas.xmlsoap.org/soap/envelope/">
  <soap:Body>
    <InChIToSMILESResponse xmlns="http://www.chemspider.com/">
      <InChIToSMILESResult>string</InChIToSMILESResult>
    </InChIToSMILESResponse>
  </soap:Body>
</soap:Envelope>

SOAP 1.2

The following is a sample SOAP 1.2 request and response. The placeholders shown need to be replaced with actual values.

POST /InChI.asmx HTTP/1.1
Host: www.chemspider.com
Content-Type: application/soap+xml; charset=utf-8
Content-Length: length

<?xml version="1.0" encoding="utf-8"?>
<soap12:Envelope xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns:xsd="http://www.w3.org/2001/XMLSchema" xmlns:soap12="http://www.w3.org/2003/05/soap-envelope">
  <soap12:Body>
    <InChIToSMILES xmlns="http://www.chemspider.com/">
      <inchi>string</inchi>
    </InChIToSMILES>
  </soap12:Body>
</soap12:Envelope>
HTTP/1.1 200 OK
Content-Type: application/soap+xml; charset=utf-8
Content-Length: length

<?xml version="1.0" encoding="utf-8"?>
<soap12:Envelope xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns:xsd="http://www.w3.org/2001/XMLSchema" xmlns:soap12="http://www.w3.org/2003/05/soap-envelope">
  <soap12:Body>
    <InChIToSMILESResponse xmlns="http://www.chemspider.com/">
      <InChIToSMILESResult>string</InChIToSMILESResult>
    </InChIToSMILESResponse>
  </soap12:Body>
</soap12:Envelope>

HTTP GET

The following is a sample HTTP GET request and response. The placeholders shown need to be replaced with actual values.

GET /InChI.asmx/InChIToSMILES?inchi=string HTTP/1.1
Host: www.chemspider.com
HTTP/1.1 200 OK
Content-Type: text/xml; charset=utf-8
Content-Length: length

<?xml version="1.0" encoding="utf-8"?>
<string xmlns="http://www.chemspider.com/">string</string>

HTTP POST

The following is a sample HTTP POST request and response. The placeholders shown need to be replaced with actual values.

POST /InChI.asmx/InChIToSMILES HTTP/1.1
Host: www.chemspider.com
Content-Type: application/x-www-form-urlencoded
Content-Length: length

inchi=string
HTTP/1.1 200 OK
Content-Type: text/xml; charset=utf-8
Content-Length: length

<?xml version="1.0" encoding="utf-8"?>
<string xmlns="http://www.chemspider.com/">string</string>