shortcut groups PO3 and PO4

User 870ab5b546

03-03-2011 02:05:42

Currently PO3 and PO4 are defined as:



PO3 OP(O)O  2   O3P
PO4 OP(O)(O)=O  1   rightName=O4P


They  should be:


PO3 [O-]P(=O)[O-]   2   leftName=O3P
PO3H [O-]P(=O)O 2 leftName=HO3P
PO3H2 OP(=O)O 2 leftName=H2O3P
PO4 OP([O-])([O-])=O 1 leftName=O4P
PO4H OP(O)([O-])=O 1 leftName=HO4P
PO4H2 OP(O)(O)=O 1 leftName=H2O4P

User 870ab5b546

03-03-2011 02:13:21

You also have a shortcut group


BzOM    COC1=CC=CC=C1

If you mean to define anisole, the proper abbreviation is PhOMe, not BzOM.  

ChemAxon 990acf0dec

03-03-2011 19:21:44

Hi Bob,


Thank you for the notes. We will correct PO3 and PO4, and add the other abbreviations as well.


Best regards,


Akos

User 870ab5b546

04-03-2011 16:52:07

May I also suggest the following corrections:


POEt2   CCOPOCC 4   leftName=Et2OP
POEt3 CCOP(OCC)OCC 4 leftName=Et3OP
POOEt2 CCOP(=O)OCC 4 leftName=Et2OOP

to:


P(OEt)2 CCOPOCC 4   leftName=(EtO)2P
P(OMe)2 COPOC 3 leftName=(MeO)2P
PO(OEt)2 CCOP(=O)OCC 4 leftName=(EtO)2OP
PO(OMe)2 COP(=O)OC 3 leftName=(MeO)2OP

I don't know what POEt3 is supposed to represent, but it doesn't make much sense to me.

ChemAxon 990acf0dec

08-03-2011 05:38:14

Hi Bob,


We will make these modifications as well. Thanks again for the corrections.


Best regards,


Akos