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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 46 results

Search term: C43H78NO9P (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
71117157

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C43H78NO9P/c1-3-5-7-8-9-10-11-12-13-14-17-20-23-26-30-34-42(46)50-38-41(39-52-54(48,49)51-37-36-44)53-43(47)35-31-27-24-21-18-15-16-19-22-25-29-33-40(45)32-28-6-4-2/h15-16,21-22,24-25,29,33,40-41,45H,3-14,17-20,23,26-28,30-32,34-39,44H2,1-2H3,(H,48,49)/b16-15-,24-21-,25-22-,33-29+/t40-,41+/m0/s1
C43H78NO9P784.0545111100
113380821

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C43H78NO9P/c1-3-5-7-9-11-12-13-14-15-16-17-18-22-26-30-34-42(46)50-38-41(39-52-54(48,49)51-37-36-44)53-43(47)35-31-27-23-20-19-21-25-29-33-40(45)32-28-24-10-8-6-4-2/h20-21,23-25,28-29,33,40-41,45H,3-19,22,26-27,30-32,34-39,44H2,1-2H3,(H,48,49)/b23-20-,25-21-,28-24-,33-29+/t40-,41+/m0/s1
C43H78NO9P784.05452200
117217479

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C43H78NO9P/c1-3-5-7-8-9-10-11-12-13-14-15-19-22-25-29-33-42(45)49-37-39(38-51-54(47,48)50-36-35-44)52-43(46)34-30-26-23-20-17-16-18-21-24-28-32-41-40(53-41)31-27-6-4-2/h16,18,20,23-24,28,39-41H,3-15,17,19,21-22,25-27,29-38,44H2,1-2H3,(H,47,48)/b18-16-,23-20-,28-24-/t39-,40?,41?/m1/s1
C43H78NO9P784.05451100
117217480

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C43H78NO9P/c1-3-5-7-8-9-10-11-12-13-14-15-20-23-26-30-34-43(46)52-39(38-51-54(47,48)50-36-35-44)37-49-42(45)33-29-25-22-19-17-16-18-21-24-28-32-41-40(53-41)31-27-6-4-2/h16,18-19,22,24,28,39-41H,3-15,17,20-21,23,25-27,29-38,44H2,1-2H3,(H,47,48)/b18-16-,22-19-,28-24-/t39-,40?,41?/m1/s1
C43H78NO9P784.05451100
117217481

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C43H78NO9P/c1-3-5-7-9-11-12-13-14-15-16-17-18-21-25-29-33-42(45)49-37-39(38-51-54(47,48)50-36-35-44)52-43(46)34-30-26-22-19-20-24-28-32-41-40(53-41)31-27-23-10-8-6-4-2/h19,22-24,27-28,39-41H,3-18,20-21,25-26,29-38,44H2,1-2H3,(H,47,48)/b22-19-,27-23-,28-24-/t39-,40?,41?/m1/s1
C43H78NO9P784.05451100
117217482

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C43H78NO9P/c1-3-5-7-9-11-12-13-14-15-16-17-18-21-26-30-34-43(46)52-39(38-51-54(47,48)50-36-35-44)37-49-42(45)33-29-25-22-19-20-24-28-32-41-40(53-41)31-27-23-10-8-6-4-2/h19,22-24,27-28,39-41H,3-18,20-21,25-26,29-38,44H2,1-2H3,(H,47,48)/b22-19-,27-23-,28-24-/t39-,40?,41?/m1/s1
C43H78NO9P784.05451100
117217483

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C43H78NO9P/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-29-33-42(45)49-37-39(38-51-54(47,48)50-36-35-44)52-43(46)34-30-26-25-28-32-41-40(53-41)31-27-23-21-19-12-10-8-6-4-2/h12,19,23,25,27-28,39-41H,3-11,13-18,20-22,24,26,29-38,44H2,1-2H3,(H,47,48)/b19-12-,27-23-,28-25-/t39-,40?,41?/m1/s1
C43H78NO9P784.05451100
117217484

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C43H78NO9P/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-30-34-43(46)52-39(38-51-54(47,48)50-36-35-44)37-49-42(45)33-29-26-25-28-32-41-40(53-41)31-27-23-21-19-12-10-8-6-4-2/h12,19,23,25,27-28,39-41H,3-11,13-18,20-22,24,26,29-38,44H2,1-2H3,(H,47,48)/b19-12-,27-23-,28-25-/t39-,40?,41?/m1/s1
C43H78NO9P784.05451100
117217485

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C43H78NO9P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-33-42(45)49-37-39(38-51-54(47,48)50-36-35-44)52-43(46)34-30-32-41-40(53-41)31-28-26-24-22-20-16-14-12-10-8-6-4-2/h12,14,20,22,26,28,39-41H,3-11,13,15-19,21,23-25,27,29-38,44H2,1-2H3,(H,47,48)/b14-12-,22-20-,28-26-/t39-,40?,41?/m1/s1
C43H78NO9P784.05451100
117217486

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C43H78NO9P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-33-43(46)52-39(38-51-54(47,48)50-36-35-44)37-49-42(45)34-30-32-41-40(53-41)31-28-26-24-22-20-16-14-12-10-8-6-4-2/h12,14,20,22,26,28,39-41H,3-11,13,15-19,21,23-25,27,29-38,44H2,1-2H3,(H,47,48)/b14-12-,22-20-,28-26-/t39-,40?,41?/m1/s1
C43H78NO9P784.05451100
117217487

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C43H78NO9P/c1-2-3-4-5-6-7-8-9-13-16-19-22-25-28-31-34-42(46)50-39-41(40-52-54(48,49)51-38-36-44)53-43(47)35-32-29-26-23-20-17-14-11-10-12-15-18-21-24-27-30-33-37-45/h10,12,14,17-18,21,23,26,41,45H,2-9,11,13,15-16,19-20,22,24-25,27-40,44H2,1H3,(H,48,49)/b12-10-,17-14-,21-18-,26-23-/t41-/m1/s1
C43H78NO9P784.05451100
117217488

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C43H78NO9P/c1-2-3-4-5-6-7-8-9-13-17-20-23-26-29-32-35-43(47)53-41(40-52-54(48,49)51-38-36-44)39-50-42(46)34-31-28-25-22-19-16-14-11-10-12-15-18-21-24-27-30-33-37-45/h10,12,14,16,18,21-22,25,41,45H,2-9,11,13,15,17,19-20,23-24,26-40,44H2,1H3,(H,48,49)/b12-10-,16-14-,21-18-,25-22-/t41-/m1/s1
C43H78NO9P784.05451100
117217489

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C43H78NO9P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-34-42(46)50-38-41(39-52-54(48,49)51-37-36-44)53-43(47)35-31-33-40(45)32-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h12,14,19,21,25,27,29,32,40-41,45H,3-11,13,15-18,20,22-24,26,28,30-31,33-39,44H2,1-2H3,(H,48,49)/b14-12-,21-19-,27-25-,32-29+/t40-,41+/m0/s1
C43H78NO9P784.05451100
117217490

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C43H78NO9P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-34-43(47)53-41(39-52-54(48,49)51-37-36-44)38-50-42(46)35-31-33-40(45)32-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h12,14,19,21,25,27,29,32,40-41,45H,3-11,13,15-18,20,22-24,26,28,30-31,33-39,44H2,1-2H3,(H,48,49)/b14-12-,21-19-,27-25-,32-29+/t40-,41-/m1/s1
C43H78NO9P784.05451100
117217491

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C43H78NO9P/c1-3-4-5-6-7-8-9-10-12-16-19-22-25-28-31-34-42(46)50-38-41(39-52-54(48,49)51-37-36-44)53-43(47)35-32-29-26-23-20-17-14-11-13-15-18-21-24-27-30-33-40(2)45/h13-15,17,21,23-24,26,40-41,45H,3-12,16,18-20,22,25,27-39,44H2,1-2H3,(H,48,49)/b15-13-,17-14-,24-21-,26-23-/t40-,41+/m0/s1
C43H78NO9P784.05451100
117217492

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C43H78NO9P/c1-3-4-5-6-7-8-9-10-12-17-20-23-26-29-32-35-43(47)53-41(39-52-54(48,49)51-37-36-44)38-50-42(46)34-31-28-25-22-19-16-14-11-13-15-18-21-24-27-30-33-40(2)45/h13-16,21-22,24-25,40-41,45H,3-12,17-20,23,26-39,44H2,1-2H3,(H,48,49)/b15-13-,16-14-,24-21-,25-22-/t40-,41-/m1/s1
C43H78NO9P784.05451100
117217493

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C43H78NO9P/c1-3-5-6-7-8-9-10-11-12-16-19-22-25-28-31-34-42(46)50-38-41(39-52-54(48,49)51-37-36-44)53-43(47)35-32-29-26-23-20-17-14-13-15-18-21-24-27-30-33-40(45)4-2/h14-15,17-18,23-24,26-27,40-41,45H,3-13,16,19-22,25,28-39,44H2,1-2H3,(H,48,49)/b17-14-,18-15-,26-23-,27-24-/t40-,41-/m1/s1
C43H78NO9P784.05451100
117217494

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C43H78NO9P/c1-3-5-6-7-8-9-10-11-12-17-20-23-26-29-32-35-43(47)53-41(39-52-54(48,49)51-37-36-44)38-50-42(46)34-31-28-25-22-19-16-14-13-15-18-21-24-27-30-33-40(45)4-2/h14-16,18,22,24-25,27,40-41,45H,3-13,17,19-21,23,26,28-39,44H2,1-2H3,(H,48,49)/b16-14-,18-15-,25-22-,27-24-/t40-,41+/m0/s1
C43H78NO9P784.05451100
117217495

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C43H78NO9P/c1-3-5-6-7-8-9-10-11-12-15-18-21-24-27-30-34-42(46)50-38-41(39-52-54(48,49)51-37-36-44)53-43(47)35-31-28-25-22-19-16-13-14-17-20-23-26-29-33-40(45)32-4-2/h13,16-17,20,22,25-26,29,40-41,45H,3-12,14-15,18-19,21,23-24,27-28,30-39,44H2,1-2H3,(H,48,49)/b16-13-,20-17-,25-22-,29-26-/t40?,41-/m1/s1
C43H78NO9P784.05451100
117217496

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C43H78NO9P/c1-3-5-6-7-8-9-10-11-12-15-19-22-25-28-31-35-43(47)53-41(39-52-54(48,49)51-37-36-44)38-50-42(46)34-30-27-24-21-18-16-13-14-17-20-23-26-29-33-40(45)32-4-2/h13,16-17,20-21,24,26,29,40-41,45H,3-12,14-15,18-19,22-23,25,27-28,30-39,44H2,1-2H3,(H,48,49)/b16-13-,20-17-,24-21-,29-26-/t40?,41-/m1/s1
C43H78NO9P784.05451100
123

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