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Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
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Found 41 results

Search term: C44H82NO7P (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4947173

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C44H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,29,31,43H,6-13,15,17-19,21,23,26-28,30,32-42H2,1-5H3/b16-14-,22-20-,25-24-,31-29-/t43-/m1/s1
C44H82NO7P768.0981273000
35032618

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C44H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,43H,6-13,18-19,24-42H2,1-5H3/b16-14-,17-15-,22-20-,23-21-/t43-/m1/s1
C44H82NO7P768.0981121200
35032601

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C44H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,43H,6-7,9,11-13,15,17-19,21,23,26-42H2,1-5H3/b10-8-,16-14-,22-20-,25-24-/t43-/m1/s1
C44H82NO7P768.0981111100
24767520

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C44H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,27,29,36,39,43H,6-14,16,18-20,22,24-26,28,30-35,37-38,40-42H2,1-5H3/b17-15-,23-21-,29-27-,39-36-/t43-/m1/s1
C44H82NO7P768.0981111100
24767521

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C44H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,36,39,43H,6-8,10,12-14,16,18-20,22,24-35,37-38,40-42H2,1-5H3/b11-9-,17-15-,23-21-,39-36-
C44H82NO7P768.0981101000
24767552

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C44H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15-18,21,23,36,39,43H,6-14,19-20,22,24-35,37-38,40-42H2,1-5H3/b17-15-,18-16-,23-21-,39-36-/t43-/m1/s1
C44H82NO7P768.0981101000
24767585

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C44H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,36,39,43H,6-14,16,18-19,24-35,37-38,40-42H2,1-5H3/b17-15-,22-20-,23-21-,39-36-/t43-/m1/s1
C44H82NO7P768.0981101000
24766823

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C44H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-43(42-52-53(47,48)51-40-38-45(3,4)5)41-50-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15-18,21,23,36,39,43H,6-14,19-20,22,24-35,37-38,40-42H2,1-5H3/b17-15-,18-16-,23-21-,39-36-
C44H82NO7P768.0981101000
24766824

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C44H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-43(42-52-53(47,48)51-40-38-45(3,4)5)41-50-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,36,39,43H,6-14,16,18-19,24-35,37-38,40-42H2,1-5H3/b17-15-,22-20-,23-21-,39-36-
C44H82NO7P768.0981101000
24766855

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C44H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-43(42-52-53(47,48)51-40-38-45(3,4)5)41-50-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,27,29,36,39,43H,6-14,16,18-20,22,24-26,28,30-35,37-38,40-42H2,1-5H3/b17-15-,23-21-,29-27-,39-36-
C44H82NO7P768.0981101000
24766888

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C44H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-43(42-52-53(47,48)51-40-38-45(3,4)5)41-50-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,36,39,43H,6-8,10,12-14,16,18-20,22,24-35,37-38,40-42H2,1-5H3/b11-9-,17-15-,23-21-,39-36-
C44H82NO7P768.0981101000
24767050

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C44H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)50-41-43(42-52-53(47,48)51-40-38-45(3,4)5)49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h20,22,24-25,29,31,36,39,43H,6-19,21,23,26-28,30,32-35,37-38,40-42H2,1-5H3/b22-20-,25-24-,31-29-,39-36-
C44H82NO7P768.0981101000
24767083

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C44H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)50-41-43(42-52-53(47,48)51-40-38-45(3,4)5)49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,36,39,43H,6-13,15,17-19,21,23,26-35,37-38,40-42H2,1-5H3/b16-14-,22-20-,25-24-,39-36-
C44H82NO7P768.0981101000
24767493

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C44H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h20,22,24-25,29,31,36,39,43H,6-19,21,23,26-28,30,32-35,37-38,40-42H2,1-5H3/b22-20-,25-24-,31-29-,39-36-
C44H82NO7P768.0981101000
24767494

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C44H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,36,39,43H,6-13,15,17-19,21,23,26-35,37-38,40-42H2,1-5H3/b16-14-,22-20-,25-24-,39-36-
C44H82NO7P768.0981101000
4510081

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C44H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,29,31,43H,6-13,15,17-19,21,23,26-28,30,32-42H2,1-5H3/b16-14+,22-20+,25-24+,31-29+
C44H82NO7P768.09815500
24822865

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C44H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,29,31,43H,6-13,15,17-19,21,23,26-28,30,32-42H2,1-5H3/b16-14-,22-20-,25-24-,31-29-
C44H82NO7P768.09813300
31150371

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C44H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)50-41-43(42-52-53(47,48)51-40-38-45(3,4)5)49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,29,31,43H,6-13,15,17-19,21,23,26-28,30,32-42H2,1-5H3/b16-14-,22-20-,25-24-,31-29-/t43-/m1/s1
C44H82NO7P768.09813400
59695056

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C44H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-43(42-52-53(47,48)51-40-38-45(3,4)5)41-50-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,27,29,36,39,43H,6-14,16,18-20,22,24-26,28,30-35,37-38,40-42H2,1-5H3/b17-15+,23-21+,29-27+,39-36+
C44H82NO7P768.09812200
59695077

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C44H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-43(42-52-53(47,48)51-40-38-45(3,4)5)41-50-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,36,39,43H,6-8,10,12-14,16,18-20,22,24-35,37-38,40-42H2,1-5H3/b11-9+,17-15+,23-21+,39-36+
C44H82NO7P768.09812200
123

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