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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 43 results

Search term: C45H80NO9P (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
117218115

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H80NO9P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-36-44(48)52-40-43(41-54-56(50,51)53-39-38-46)55-45(49)37-33-35-42(47)34-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h12,14,21,23,27,29,31,34,43H,3-11,13,15-20,22,24-26,28,30,32-33,35-41,46H2,1-2H3,(H,50,51)/b14-12-,23-21-,29-27-,34-31+/t43-/m1/s1
C45H80NO9P810.09181100
117218116

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H80NO9P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-36-45(49)55-43(41-54-56(50,51)53-39-38-46)40-52-44(48)37-33-35-42(47)34-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h12,14,21,23,27,29,31,34,43H,3-11,13,15-20,22,24-26,28,30,32-33,35-41,46H2,1-2H3,(H,50,51)/b14-12-,23-21-,29-27-,34-31+/t43-/m1/s1
C45H80NO9P810.09181100
117218117

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H80NO9P/c1-3-5-7-8-9-10-11-12-13-14-15-16-19-22-25-28-32-36-44(48)52-40-43(41-54-56(50,51)53-39-38-46)55-45(49)37-33-29-26-23-20-17-18-21-24-27-31-35-42(47)34-30-6-4-2/h17-18,23-24,26-27,31,35,43H,3-16,19-22,25,28-30,32-34,36-41,46H2,1-2H3,(H,50,51)/b18-17-,26-23-,27-24-,35-31+/t43-/m1/s1
C45H80NO9P810.09181100
117218118

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H80NO9P/c1-3-5-7-8-9-10-11-12-13-14-15-16-19-23-26-29-33-37-45(49)55-43(41-54-56(50,51)53-39-38-46)40-52-44(48)36-32-28-25-22-20-17-18-21-24-27-31-35-42(47)34-30-6-4-2/h17-18,22,24-25,27,31,35,43H,3-16,19-21,23,26,28-30,32-34,36-41,46H2,1-2H3,(H,50,51)/b18-17-,25-22-,27-24-,35-31+/t43-/m1/s1
C45H80NO9P810.09181100
117218129

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C45H80NO9P/c1-3-5-6-7-8-9-10-11-12-13-14-18-21-24-27-30-33-36-44(48)52-40-43(41-54-56(50,51)53-39-38-46)55-45(49)37-34-31-28-25-22-19-16-15-17-20-23-26-29-32-35-42(47)4-2/h16-17,19-20,25-26,28-29,32,35,42-43,47H,3-15,18,21-24,27,30-31,33-34,36-41,46H2,1-2H3,(H,50,51)/b19-16-,20-17-,28-25-,29-26-,35-32+/t42-,43-/m1/s1
C45H80NO9P810.09181100
117218130

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C45H80NO9P/c1-3-5-6-7-8-9-10-11-12-13-14-19-22-25-28-31-34-37-45(49)55-43(41-54-56(50,51)53-39-38-46)40-52-44(48)36-33-30-27-24-21-18-16-15-17-20-23-26-29-32-35-42(47)4-2/h16-18,20,24,26-27,29,32,35,42-43,47H,3-15,19,21-23,25,28,30-31,33-34,36-41,46H2,1-2H3,(H,50,51)/b18-16-,20-17-,27-24-,29-26-,35-32+/t42-,43+/m0/s1
C45H80NO9P810.09181100
117218131

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C45H80NO9P/c1-3-5-7-8-9-10-11-12-13-14-15-16-20-23-26-29-32-36-44(48)52-40-43(41-54-56(50,51)53-39-38-46)55-45(49)37-33-30-27-24-21-18-17-19-22-25-28-31-35-42(47)34-6-4-2/h6,17-18,22,24-25,27-28,31,34,42-43,47H,3-5,7-16,19-21,23,26,29-30,32-33,35-41,46H2,1-2H3,(H,50,51)/b18-17-,25-22-,27-24-,31-28+,34-6-/t42?,43-/m1/s1
C45H80NO9P810.09181100
117218132

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C45H80NO9P/c1-3-5-7-8-9-10-11-12-13-14-15-16-21-24-27-30-33-37-45(49)55-43(41-54-56(50,51)53-39-38-46)40-52-44(48)36-32-29-26-23-20-18-17-19-22-25-28-31-35-42(47)34-6-4-2/h6,17-18,22-23,25-26,28,31,34,42-43,47H,3-5,7-16,19-21,24,27,29-30,32-33,35-41,46H2,1-2H3,(H,50,51)/b18-17-,25-22-,26-23-,31-28+,34-6-/t42?,43-/m1/s1
C45H80NO9P810.09181100
117218133

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C45H80NO9P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-24-28-32-36-44(48)52-40-43(41-54-56(50,51)53-39-38-46)55-45(49)37-33-29-25-22-21-23-27-31-35-42(47)34-30-26-10-8-6-4-2/h6,8,22-23,25-27,30-31,35,42-43,47H,3-5,7,9-21,24,28-29,32-34,36-41,46H2,1-2H3,(H,50,51)/b8-6-,25-22-,27-23-,30-26-,35-31+/t42?,43-/m1/s1
C45H80NO9P810.09181100
117218134

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C45H80NO9P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-25-29-33-37-45(49)55-43(41-54-56(50,51)53-39-38-46)40-52-44(48)36-32-28-24-22-21-23-27-31-35-42(47)34-30-26-10-8-6-4-2/h6,8,22-24,26-27,30-31,35,42-43,47H,3-5,7,9-21,25,28-29,32-34,36-41,46H2,1-2H3,(H,50,51)/b8-6-,24-22-,27-23-,30-26-,35-31+/t42?,43-/m1/s1
C45H80NO9P810.09181100
117218135

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C45H80NO9P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-36-44(48)52-40-43(41-54-56(50,51)53-39-38-46)55-45(49)37-33-35-42(47)34-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h6,8,12,14,21,23,27,29,31,34,42-43,47H,3-5,7,9-11,13,15-20,22,24-26,28,30,32-33,35-41,46H2,1-2H3,(H,50,51)/b8-6-,14-12-,23-21-,29-27-,34-31+/t42?,43-/m1/s1
C45H80NO9P810.09181100
117218136

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C45H80NO9P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-36-45(49)55-43(41-54-56(50,51)53-39-38-46)40-52-44(48)37-33-35-42(47)34-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h6,8,12,14,21,23,27,29,31,34,42-43,47H,3-5,7,9-11,13,15-20,22,24-26,28,30,32-33,35-41,46H2,1-2H3,(H,50,51)/b8-6-,14-12-,23-21-,29-27-,34-31+/t42?,43-/m1/s1
C45H80NO9P810.09181100
117218163

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C45H80NO9P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-21-24-27-31-35-44(47)51-39-41(40-53-56(49,50)52-38-37-46)54-45(48)36-32-28-25-22-19-18-20-23-26-30-34-43-42(55-43)33-29-6-4-2/h12-13,18,20,22,25-26,30,41-43H,3-11,14-17,19,21,23-24,27-29,31-40,46H2,1-2H3,(H,49,50)/b13-12-,20-18-,25-22-,30-26-/t41-,42?,43?/m1/s1
C45H80NO9P810.09181100
117218164

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C45H80NO9P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-22-25-28-32-36-45(48)54-41(40-53-56(49,50)52-38-37-46)39-51-44(47)35-31-27-24-21-19-18-20-23-26-30-34-43-42(55-43)33-29-6-4-2/h12-13,18,20-21,24,26,30,41-43H,3-11,14-17,19,22-23,25,27-29,31-40,46H2,1-2H3,(H,49,50)/b13-12-,20-18-,24-21-,30-26-/t41-,42?,43?/m1/s1
C45H80NO9P810.09181100
117218165

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C45H80NO9P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-23-27-31-35-44(47)51-39-41(40-53-56(49,50)52-38-37-46)54-45(48)36-32-28-24-21-22-26-30-34-43-42(55-43)33-29-25-10-8-6-4-2/h14-15,21,24-26,29-30,41-43H,3-13,16-20,22-23,27-28,31-40,46H2,1-2H3,(H,49,50)/b15-14-,24-21-,29-25-,30-26-/t41-,42?,43?/m1/s1
C45H80NO9P810.09181100
117218166

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C45H80NO9P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-23-28-32-36-45(48)54-41(40-53-56(49,50)52-38-37-46)39-51-44(47)35-31-27-24-21-22-26-30-34-43-42(55-43)33-29-25-10-8-6-4-2/h14-15,21,24-26,29-30,41-43H,3-13,16-20,22-23,27-28,31-40,46H2,1-2H3,(H,49,50)/b15-14-,24-21-,29-25-,30-26-/t41-,42?,43?/m1/s1
C45H80NO9P810.09181100
117218167

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C45H80NO9P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-31-35-44(47)51-39-41(40-53-56(49,50)52-38-37-46)54-45(48)36-32-28-27-30-34-43-42(55-43)33-29-25-23-21-12-10-8-6-4-2/h12,15-16,21,25,27,29-30,41-43H,3-11,13-14,17-20,22-24,26,28,31-40,46H2,1-2H3,(H,49,50)/b16-15-,21-12-,29-25-,30-27-/t41-,42?,43?/m1/s1
C45H80NO9P810.09181100
117218168

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C45H80NO9P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-32-36-45(48)54-41(40-53-56(49,50)52-38-37-46)39-51-44(47)35-31-28-27-30-34-43-42(55-43)33-29-25-23-21-12-10-8-6-4-2/h12,15-16,21,25,27,29-30,41-43H,3-11,13-14,17-20,22-24,26,28,31-40,46H2,1-2H3,(H,49,50)/b16-15-,21-12-,29-25-,30-27-/t41-,42?,43?/m1/s1
C45H80NO9P810.09181100
117218169

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C45H80NO9P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-35-44(47)51-39-41(40-53-56(49,50)52-38-37-46)54-45(48)36-32-34-43-42(55-43)33-30-28-26-24-22-16-14-12-10-8-6-4-2/h12,14,17-18,22,24,28,30,41-43H,3-11,13,15-16,19-21,23,25-27,29,31-40,46H2,1-2H3,(H,49,50)/b14-12-,18-17-,24-22-,30-28-/t41-,42?,43?/m1/s1
C45H80NO9P810.09181100
117218170

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C45H80NO9P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-35-45(48)54-41(40-53-56(49,50)52-38-37-46)39-51-44(47)36-32-34-43-42(55-43)33-30-28-26-24-22-16-14-12-10-8-6-4-2/h12,14,17-18,22,24,28,30,41-43H,3-11,13,15-16,19-21,23,25-27,29,31-40,46H2,1-2H3,(H,49,50)/b14-12-,18-17-,24-22-,30-28-/t41-,42?,43?/m1/s1
C45H80NO9P810.09181100
123

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