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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 22 results

Search term: C49H80NO8P (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24769047

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C49H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29-32,36,38,47H,3-10,15-16,21-22,27-28,33-35,37,39-46,50H2,1-2H3,(H,53,54)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,38-36-/t47-/m1/s1
C49H80NO8P842.13525500
24769048

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C49H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,29-32,47H,3-5,7,9-10,15-16,21-22,27-28,33-46,50H2,1-2H3,(H,53,54)/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t47-/m1/s1
C49H80NO8P842.13525500
24769080

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C49H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29-32,35,37,47H,3-10,15-16,21-22,27-28,33-34,36,38-46,50H2,1-2H3,(H,53,54)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-/t47-/m1/s1
C49H80NO8P842.13525500
24769113

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C49H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,29-32,47H,3-4,6,8-10,15-16,21-22,27-28,33-46,50H2,1-2H3,(H,53,54)/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t47-/m1/s1
C49H80NO8P842.13525500
74851108

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C49H80NO8P/c1-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50(3)4)45-55-48(51)41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-2/h7,9,13-16,19-22,24,26-27,29-30,32,36,38,47H,5-6,8,10-12,17-18,23,25,28,31,33-35,37,39-46H2,1-4H3,(H,53,54)/b9-7-,15-13-,16-14-,21-19-,22-20-,26-24-,29-27-,32-30-,38-36-
C49H80NO8P842.13523300
74851134

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C49H80NO8P/c1-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50(3)4)45-55-48(51)41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-2/h13-16,19-22,24,26-27,29-30,32-33,35-36,38,47H,5-12,17-18,23,25,28,31,34,37,39-46H2,1-4H3,(H,53,54)/b15-13-,16-14-,21-19-,22-20-,26-24-,29-27-,32-30-,35-33-,38-36-
C49H80NO8P842.13523300
74851135

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C49H80NO8P/c1-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50(3)4)45-55-48(51)41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-2/h7,9,13-16,19-22,24,26-27,29-30,32-33,35,47H,5-6,8,10-12,17-18,23,25,28,31,34,36-46H2,1-4H3,(H,53,54)/b9-7-,15-13-,16-14-,21-19-,22-20-,26-24-,29-27-,32-30-,35-33-
C49H80NO8P842.13523300
74851163

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C49H80NO8P/c1-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50(3)4)45-55-48(51)41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-2/h8,10,13-16,19-22,24,26-27,29-30,32,36,38,47H,5-7,9,11-12,17-18,23,25,28,31,33-35,37,39-46H2,1-4H3,(H,53,54)/b10-8-,15-13-,16-14-,21-19-,22-20-,26-24-,29-27-,32-30-,38-36-
C49H80NO8P842.13523300
74851164

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C49H80NO8P/c1-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50(3)4)45-55-48(51)41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-2/h7-10,13-16,19-22,24,26-27,29-30,32,47H,5-6,11-12,17-18,23,25,28,31,33-46H2,1-4H3,(H,53,54)/b9-7-,10-8-,15-13-,16-14-,21-19-,22-20-,26-24-,29-27-,32-30-
C49H80NO8P842.13523300
74851191

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C49H80NO8P/c1-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50(3)4)45-55-48(51)41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-2/h8,10,13-16,19-22,24,26-27,29-30,32-33,35,47H,5-7,9,11-12,17-18,23,25,28,31,34,36-46H2,1-4H3,(H,53,54)/b10-8-,15-13-,16-14-,21-19-,22-20-,26-24-,29-27-,32-30-,35-33-
C49H80NO8P842.13523300
74851301

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C49H80NO8P/c1-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50(3)4)58-49(52)42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-2/h8,10,13-16,19-22,24,26,28-31,34,36,47H,5-7,9,11-12,17-18,23,25,27,32-33,35,37-46H2,1-4H3,(H,53,54)/b10-8-,15-13-,16-14-,21-19-,22-20-,26-24-,30-28-,31-29-,36-34-
C49H80NO8P842.13523300
74851326

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C49H80NO8P/c1-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50(3)4)58-49(52)42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-2/h8,10,13-16,19-22,24,26,28-31,35,37,47H,5-7,9,11-12,17-18,23,25,27,32-34,36,38-46H2,1-4H3,(H,53,54)/b10-8-,15-13-,16-14-,21-19-,22-20-,26-24-,30-28-,31-29-,37-35-
C49H80NO8P842.13523300
74851352

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C49H80NO8P/c1-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50(3)4)58-49(52)42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-2/h7,9,13-16,19-22,24,26,28-31,34,36,47H,5-6,8,10-12,17-18,23,25,27,32-33,35,37-46H2,1-4H3,(H,53,54)/b9-7-,15-13-,16-14-,21-19-,22-20-,26-24-,30-28-,31-29-,36-34-
C49H80NO8P842.13523300
74851353

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C49H80NO8P/c1-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50(3)4)58-49(52)42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-2/h7-10,13-16,19-22,24,26,28-31,47H,5-6,11-12,17-18,23,25,27,32-46H2,1-4H3,(H,53,54)/b9-7-,10-8-,15-13-,16-14-,21-19-,22-20-,26-24-,30-28-,31-29-
C49H80NO8P842.13523300
74851378

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C49H80NO8P/c1-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50(3)4)58-49(52)42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-2/h7,9,13,15,19-22,24,26,28-31,34-37,47H,5-6,8,10-12,14,16-18,23,25,27,32-33,38-46H2,1-4H3,(H,53,54)/b9-7-,15-13-,21-19-,22-20-,26-24-,30-28-,31-29-,36-34-,37-35-
C49H80NO8P842.13523300
74851379

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C49H80NO8P/c1-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50(3)4)58-49(52)42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-2/h7,9,13-16,19-22,24,26,28-31,35,37,47H,5-6,8,10-12,17-18,23,25,27,32-34,36,38-46H2,1-4H3,(H,53,54)/b9-7-,15-13-,16-14-,21-19-,22-20-,26-24-,30-28-,31-29-,37-35-
C49H80NO8P842.13523300
74851467

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C49H80NO8P/c1-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50(3)4)45-55-48(51)41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-2/h7,9,13,15,19-22,24,26-27,29-30,32-33,35-36,38,47H,5-6,8,10-12,14,16-18,23,25,28,31,34,37,39-46H2,1-4H3,(H,53,54)/b9-7-,15-13-,21-19-,22-20-,26-24-,29-27-,32-30-,35-33-,38-36-
C49H80NO8P842.13523300
74851473

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C49H80NO8P/c1-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50(3)4)58-49(52)42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-2/h13-16,19-22,24,26,28-31,34-37,47H,5-12,17-18,23,25,27,32-33,38-46H2,1-4H3,(H,53,54)/b15-13-,16-14-,21-19-,22-20-,26-24-,30-28-,31-29-,36-34-,37-35-
C49H80NO8P842.13523300
59699161

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C49H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29-32,36,38,47H,3-10,15-16,21-22,27-28,33-35,37,39-46,50H2,1-2H3,(H,53,54)/b13-11+,14-12+,19-17+,20-18+,25-23+,26-24+,31-29+,32-30+,38-36-/t47-/m1/s1
C49H80NO8P842.13521100
59699162

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C49H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,29-32,47H,3-5,7,9-10,15-16,21-22,27-28,33-46,50H2,1-2H3,(H,53,54)/b8-6+,13-11+,14-12+,19-17+,20-18+,25-23+,26-24+,31-29+,32-30+/t47-/m1/s1
C49H80NO8P842.13521100
12

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