InChI
Click here for a complete list of operations.
SMILESToInChI
Convert SMILES to InChI. Result is v1.02s InChI.
Test
To test the operation using the HTTP POST protocol, click the 'Invoke' button.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: chemspider.com Content-Type: text/xml; charset=utf-8 Content-Length: length SOAPAction: "http://www.chemspider.com/SMILESToInChI" <?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> <SMILESToInChI xmlns="http://www.chemspider.com/"> <smiles>string</smiles> </SMILESToInChI> </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> <SMILESToInChIResponse xmlns="http://www.chemspider.com/"> <SMILESToInChIResult>string</SMILESToInChIResult> </SMILESToInChIResponse> </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: 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> <SMILESToInChI xmlns="http://www.chemspider.com/"> <smiles>string</smiles> </SMILESToInChI> </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> <SMILESToInChIResponse xmlns="http://www.chemspider.com/"> <SMILESToInChIResult>string</SMILESToInChIResult> </SMILESToInChIResponse> </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/SMILESToInChI?smiles=string HTTP/1.1 Host: 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/SMILESToInChI HTTP/1.1 Host: chemspider.com Content-Type: application/x-www-form-urlencoded Content-Length: length smiles=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>