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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 17 results

Search term: C39H72NO9P (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9193228

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C39H72NO9P/c1-5-6-7-8-9-10-11-12-13-14-15-18-21-24-27-30-38(42)46-35-37(36-48-50(44,45)47-34-32-40(2,3)4)49-39(43)31-28-25-22-19-16-17-20-23-26-29-33-41/h20,23,26,29,33,37H,5-19,21-22,24-25,27-28,30-32,34-36H2,1-4H3/b23-20-,29-26+/t37-/m0/s1
C39H72NO9P729.9641100
9193230

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C39H72NO9P/c1-5-6-7-8-9-10-11-12-13-14-15-18-21-24-27-30-38(42)46-35-37(36-48-50(44,45)47-34-32-40(2,3)4)49-39(43)31-28-25-22-19-16-17-20-23-26-29-33-41/h20,23,26,29,33,37H,5-19,21-22,24-25,27-28,30-32,34-36H2,1-4H3/b23-20+,29-26+/t37-/m0/s1
C39H72NO9P729.9641100
113376669

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C39H72NO9P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-38(41)49-36(34-47-50(44,45)48-35-37(40)39(42)43)33-46-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h9,11,15,17,30,32,36-37H,3-8,10,12-14,16,18-29,31,33-35,40H2,1-2H3,(H,42,43)(H,44,45)/b11-9-,17-15-,32-30-/t36-,37+/m1/s1
C39H72NO9P729.9641100
117217134

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C39H72NO9P/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-28-36(41)29-27-31-39(43)49-37(35-48-50(44,45)47-33-32-40)34-46-38(42)30-26-24-22-20-17-14-12-10-8-6-4-2/h16,18,21,23,25,28,36-37,41H,3-15,17,19-20,22,24,26-27,29-35,40H2,1-2H3,(H,44,45)/b18-16+,23-21+,28-25+/t36?,37-/m1/s1
C39H72NO9P729.9641100
117217135

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C39H72NO9P/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-28-36(41)29-27-31-38(42)46-34-37(35-48-50(44,45)47-33-32-40)49-39(43)30-26-24-22-20-17-14-12-10-8-6-4-2/h16,18,21,23,25,28,36-37,41H,3-15,17,19-20,22,24,26-27,29-35,40H2,1-2H3,(H,44,45)/b18-16+,23-21+,28-25+/t36?,37-/m1/s1
C39H72NO9P729.9641100
117217350

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C39H72NO9P/c1-3-5-7-9-11-12-13-14-15-16-18-22-26-30-38(42)46-34-37(35-48-50(44,45)47-33-32-40)49-39(43)31-27-23-19-21-25-29-36(41)28-24-20-17-10-8-6-4-2/h17,20,24,28,37H,3-16,18-19,21-23,25-27,29-35,40H2,1-2H3,(H,44,45)/b20-17-,28-24+/t37-/m1/s1
C39H72NO9P729.9641100
117217351

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C39H72NO9P/c1-3-5-7-9-11-12-13-14-15-16-18-22-27-31-39(43)49-37(35-48-50(44,45)47-33-32-40)34-46-38(42)30-26-23-19-21-25-29-36(41)28-24-20-17-10-8-6-4-2/h17,20,24,28,37H,3-16,18-19,21-23,25-27,29-35,40H2,1-2H3,(H,44,45)/b20-17-,28-24+/t37-/m1/s1
C39H72NO9P729.9641100
117217352

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C39H72NO9P/c1-3-5-7-8-9-10-11-12-13-16-19-22-26-30-38(42)46-34-37(35-48-50(44,45)47-33-32-40)49-39(43)31-27-23-20-17-14-15-18-21-25-29-36(41)28-24-6-4-2/h18,21,25,29,37H,3-17,19-20,22-24,26-28,30-35,40H2,1-2H3,(H,44,45)/b21-18-,29-25+/t37-/m1/s1
C39H72NO9P729.9641100
117217353

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C39H72NO9P/c1-3-5-7-8-9-10-11-12-13-16-20-23-27-31-39(43)49-37(35-48-50(44,45)47-33-32-40)34-46-38(42)30-26-22-19-17-14-15-18-21-25-29-36(41)28-24-6-4-2/h18,21,25,29,37H,3-17,19-20,22-24,26-28,30-35,40H2,1-2H3,(H,44,45)/b21-18-,29-25+/t37-/m1/s1
C39H72NO9P729.9641100
117217387

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C39H72NO9P/c1-3-5-7-9-11-12-13-14-15-16-18-22-26-30-38(42)46-34-37(35-48-50(44,45)47-33-32-40)49-39(43)31-27-23-19-21-25-29-36(41)28-24-20-17-10-8-6-4-2/h6,8,17,20,24,28,36-37,41H,3-5,7,9-16,18-19,21-23,25-27,29-35,40H2,1-2H3,(H,44,45)/b8-6+,20-17+,28-24+/t36?,37-/m1/s1
C39H72NO9P729.9641100
117217388

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C39H72NO9P/c1-3-5-7-9-11-12-13-14-15-16-18-22-27-31-39(43)49-37(35-48-50(44,45)47-33-32-40)34-46-38(42)30-26-23-19-21-25-29-36(41)28-24-20-17-10-8-6-4-2/h6,8,17,20,24,28,36-37,41H,3-5,7,9-16,18-19,21-23,25-27,29-35,40H2,1-2H3,(H,44,45)/b8-6+,20-17+,28-24+/t36?,37-/m1/s1
C39H72NO9P729.9641100
117217389

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C39H72NO9P/c1-3-5-7-8-9-10-11-12-13-16-19-22-26-30-38(42)46-34-37(35-48-50(44,45)47-33-32-40)49-39(43)31-27-23-20-17-14-15-18-21-25-29-36(41)28-24-6-4-2/h6,18,21,24-25,29,36-37,41H,3-5,7-17,19-20,22-23,26-28,30-35,40H2,1-2H3,(H,44,45)/b21-18+,24-6+,29-25+/t36?,37-/m1/s1
C39H72NO9P729.9641100
117217390

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C39H72NO9P/c1-3-5-7-8-9-10-11-12-13-16-20-23-27-31-39(43)49-37(35-48-50(44,45)47-33-32-40)34-46-38(42)30-26-22-19-17-14-15-18-21-25-29-36(41)28-24-6-4-2/h6,18,21,24-25,29,36-37,41H,3-5,7-17,19-20,22-23,26-28,30-35,40H2,1-2H3,(H,44,45)/b21-18+,24-6+,29-25+/t36?,37-/m1/s1
C39H72NO9P729.9641100
117217441

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C39H72NO9P/c1-3-5-7-9-11-12-13-14-15-16-17-21-25-29-38(41)45-33-35(34-47-50(43,44)46-32-31-40)48-39(42)30-26-22-18-20-24-28-37-36(49-37)27-23-19-10-8-6-4-2/h12-13,19,23,35-37H,3-11,14-18,20-22,24-34,40H2,1-2H3,(H,43,44)/b13-12-,23-19-/t35-,36?,37?/m1/s1
C39H72NO9P729.9641100
117217442

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C39H72NO9P/c1-3-5-7-9-11-12-13-14-15-16-17-21-26-30-39(42)48-35(34-47-50(43,44)46-32-31-40)33-45-38(41)29-25-22-18-20-24-28-37-36(49-37)27-23-19-10-8-6-4-2/h12-13,19,23,35-37H,3-11,14-18,20-22,24-34,40H2,1-2H3,(H,43,44)/b13-12-,23-19-/t35-,36?,37?/m1/s1
C39H72NO9P729.9641100
117217443

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C39H72NO9P/c1-3-5-7-8-9-10-11-12-13-14-18-21-25-29-38(41)45-33-35(34-47-50(43,44)46-32-31-40)48-39(42)30-26-22-19-16-15-17-20-24-28-37-36(49-37)27-23-6-4-2/h10-11,20,24,35-37H,3-9,12-19,21-23,25-34,40H2,1-2H3,(H,43,44)/b11-10-,24-20-/t35-,36?,37?/m1/s1
C39H72NO9P729.9641100
117217444

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C39H72NO9P/c1-3-5-7-8-9-10-11-12-13-14-19-22-26-30-39(42)48-35(34-47-50(43,44)46-32-31-40)33-45-38(41)29-25-21-18-16-15-17-20-24-28-37-36(49-37)27-23-6-4-2/h10-11,20,24,35-37H,3-9,12-19,21-23,25-34,40H2,1-2H3,(H,43,44)/b11-10-,24-20-/t35-,36?,37?/m1/s1
C39H72NO9P729.9641100

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