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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
Additional Filters

Found 38 results

Search term: C44H80NO7P (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8660716

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C44H80NO7P/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/h8,10,14,16,20,22,24-25,29,31,43H,6-7,9,11-13,15,17-19,21,23,26-28,30,32-42H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,31-29-/t43-/m1/s1
C44H80NO7P766.0823211900
9597725

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C44H80NO7P/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/h8,10,14,16,20,22,24-25,29,31,43H,6-7,9,11-13,15,17-19,21,23,26-28,30,32-42H2,1-5H3/b10-8+,16-14+,22-20+,25-24+,31-29+
C44H80NO7P766.0823111000
24767522

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C44H80NO7P/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/h9,11,15,17,21,23,27,29,36,39,43H,6-8,10,12-14,16,18-20,22,24-26,28,30-35,37-38,40-42H2,1-5H3/b11-9-,17-15-,23-21-,29-27-,39-36-/t43-/m1/s1
C44H80NO7P766.0823111100
24767553

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C44H80NO7P/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/h15-18,21,23,27,29,36,39,43H,6-14,19-20,22,24-26,28,30-35,37-38,40-42H2,1-5H3/b17-15-,18-16-,23-21-,29-27-,39-36-
C44H80NO7P766.0823101000
24767554

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C44H80NO7P/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/h9,11,15-18,21,23,36,39,43H,6-8,10,12-14,19-20,22,24-35,37-38,40-42H2,1-5H3/b11-9-,17-15-,18-16-,23-21-,39-36-
C44H80NO7P766.0823101000
24767586

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C44H80NO7P/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/h15,17,20-23,27,29,36,39,43H,6-14,16,18-19,24-26,28,30-35,37-38,40-42H2,1-5H3/b17-15-,22-20-,23-21-,29-27-,39-36-/t43-/m1/s1
C44H80NO7P766.0823101000
24767587

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C44H80NO7P/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/h9,11,15,17,20-23,36,39,43H,6-8,10,12-14,16,18-19,24-35,37-38,40-42H2,1-5H3/b11-9-,17-15-,22-20-,23-21-,39-36-/t43-/m1/s1
C44H80NO7P766.0823101000
24766856

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C44H80NO7P/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/h15-18,21,23,27,29,36,39,43H,6-14,19-20,22,24-26,28,30-35,37-38,40-42H2,1-5H3/b17-15-,18-16-,23-21-,29-27-,39-36-
C44H80NO7P766.0823101000
24766857

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C44H80NO7P/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/h15,17,20-23,27,29,36,39,43H,6-14,16,18-19,24-26,28,30-35,37-38,40-42H2,1-5H3/b17-15-,22-20-,23-21-,29-27-,39-36-
C44H80NO7P766.0823101000
24766889

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C44H80NO7P/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/h9,11,15-18,21,23,36,39,43H,6-8,10,12-14,19-20,22,24-35,37-38,40-42H2,1-5H3/b11-9-,17-15-,18-16-,23-21-,39-36-
C44H80NO7P766.0823101000
24766890

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C44H80NO7P/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/h9,11,15,17,20-23,36,39,43H,6-8,10,12-14,16,18-19,24-35,37-38,40-42H2,1-5H3/b11-9-,17-15-,22-20-,23-21-,39-36-
C44H80NO7P766.0823101000
24766921

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C44H80NO7P/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/h9,11,15,17,21,23,27,29,36,39,43H,6-8,10,12-14,16,18-20,22,24-26,28,30-35,37-38,40-42H2,1-5H3/b11-9-,17-15-,23-21-,29-27-,39-36-
C44H80NO7P766.0823101000
24767116

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C44H80NO7P/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/h14,16,20,22,24-25,29,31,36,39,43H,6-13,15,17-19,21,23,26-28,30,32-35,37-38,40-42H2,1-5H3/b16-14-,22-20-,25-24-,31-29-,39-36-
C44H80NO7P766.0823101000
24767149

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C44H80NO7P/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/h8,10,14,16,20,22,24-25,36,39,43H,6-7,9,11-13,15,17-19,21,23,26-35,37-38,40-42H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,39-36-
C44H80NO7P766.0823101000
24767495

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C44H80NO7P/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/h14,16,20,22,24-25,29,31,36,39,43H,6-13,15,17-19,21,23,26-28,30,32-35,37-38,40-42H2,1-5H3/b16-14-,22-20-,25-24-,31-29-,39-36-/t43-/m1/s1
C44H80NO7P766.0823101200
24767496

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C44H80NO7P/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/h8,10,14,16,20,22,24-25,36,39,43H,6-7,9,11-13,15,17-19,21,23,26-35,37-38,40-42H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,39-36-/t43-/m1/s1
C44H80NO7P766.0823101000
35032607

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C44H80NO7P/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/h14,16-17,19-20,22,24-25,29,31,43H,6-13,15,18,21,23,26-28,30,32-42H2,1-5H3/b16-14-,19-17-,22-20-,25-24-,31-29-/t43-/m1/s1
C44H80NO7P766.08237700
24589884

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C44H80NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-51-53(48,49)39-38-45(3,4)5)52-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,42H,6-13,18-19,24-41H2,1-5H3/b16-14-,17-15-,22-20-,23-21-
C44H80NO7P766.08233300
59695057

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C44H80NO7P/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/h15-18,21,23,27,29,36,39,43H,6-14,19-20,22,24-26,28,30-35,37-38,40-42H2,1-5H3/b17-15+,18-16+,23-21+,29-27+,39-36+
C44H80NO7P766.08232200
27472356

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C44H80NO7P/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/h8,10,14,16,20,22,24-25,29,31,43H,6-7,9,11-13,15,17-19,21,23,26-28,30,32-42H2,1-5H3/b10-8+,16-14+,22-20+,25-24+,31-29+/t43-/m0/s1
C44H80NO7P766.08232100
12

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