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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
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Found 73 results

Search term: C45H88NO8P (Found by molecular formula)
1234
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
7825800

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H88NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h17,19,43H,3-16,18,20-42,46H2,1-2H3,(H,49,50)/b19-17-/t43-/m1/s1
C45H88NO8P802.15598900
7825801

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H88NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,43H,3-17,19,21-42,46H2,1-2H3,(H,49,50)/b20-18-/t43-/m1/s1
C45H88NO8P802.1559891115
7825803

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H88NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h14,16,43H,3-13,15,17-42,46H2,1-2H3,(H,49,50)/b16-14-/t43-/m1/s1
C45H88NO8P802.15598900
7825804

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H88NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h18,23,43H,3-17,19-22,24-42,46H2,1-2H3,(H,49,50)/b23-18-/t43-/m1/s1
C45H88NO8P802.15598900
7825809

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H88NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h14,16,43H,3-13,15,17-42,46H2,1-2H3,(H,49,50)/b16-14-/t43-/m1/s1
C45H88NO8P802.15598900
7825810

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H88NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h18,23,43H,3-17,19-22,24-42,46H2,1-2H3,(H,49,50)/b23-18-/t43-/m1/s1
C45H88NO8P802.15598900
24768466

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H88NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h14,16,43H,3-13,15,17-42,46H2,1-2H3,(H,49,50)/b16-14-/t43-/m1/s1
C45H88NO8P802.15596600
24768713

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H88NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,43H,3-16,18,20-42,46H2,1-2H3,(H,49,50)/b19-17-/t43-/m1/s1
C45H88NO8P802.15596600
24768963

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H88NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h17,19,43H,3-16,18,20-42,46H2,1-2H3,(H,49,50)/b19-17-/t43-/m1/s1
C45H88NO8P802.15595500
24769159

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H88NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-25-16-14-12-10-8-6-4-2/h14,16,43H,3-13,15,17-42,46H2,1-2H3,(H,49,50)/b16-14-/t43-/m1/s1
C45H88NO8P802.15595500
24769188

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H88NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-25-16-14-12-10-8-6-4-2/h17-18,43H,3-16,19-42,46H2,1-2H3,(H,49,50)/b18-17-/t43-/m1/s1
C45H88NO8P802.15595500
24766628

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H88NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46(3,4)5)41-51-44(47)37-35-33-31-29-27-19-17-15-13-11-9-7-2/h20-21,43H,6-19,22-42H2,1-5H3/b21-20-/t43-/m1/s1
C45H88NO8P802.15595500
24767220

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H88NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46(3,4)5)54-45(48)38-36-34-32-30-27-19-17-15-13-11-9-7-2/h20-21,43H,6-19,22-42H2,1-5H3/b21-20-/t43-/m1/s1
C45H88NO8P802.15595500
24768435

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H88NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h17-18,43H,3-16,19-42,46H2,1-2H3,(H,49,50)/b18-17-/t43-/m1/s1
C45H88NO8P802.15595500
7825807

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H88NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h14,16,43H,3-13,15,17-42,46H2,1-2H3,(H,49,50)/b16-14+/t43-/m1/s1
C45H88NO8P802.15594500
74850601

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C45H88NO8P/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-28-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46-3)54-45(48)38-36-34-32-30-27-17-15-13-11-9-7-5-2/h18-19,43,46H,4-17,20-42H2,1-3H3,(H,49,50)/b19-18-
C45H88NO8P802.15593300
74850686

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C45H88NO8P/c1-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46(3)4)41-51-44(47)37-35-33-31-29-27-16-14-12-10-8-6-2/h18-19,43H,5-17,20-42H2,1-4H3,(H,49,50)/b19-18-
C45H88NO8P802.15593300
74850704

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C45H88NO8P/c1-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46(3)4)41-51-44(47)37-35-33-31-29-27-16-14-12-10-8-6-2/h12,14,43H,5-11,13,15-42H2,1-4H3,(H,49,50)/b14-12-
C45H88NO8P802.15593300
74850742

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C45H88NO8P/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46(3)4)41-51-44(47)37-35-33-31-29-27-25-18-16-14-12-10-8-6-2/h19-20,43H,5-18,21-42H2,1-4H3,(H,49,50)/b20-19-
C45H88NO8P802.15593300
74850764

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C45H88NO8P/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46(3)4)41-51-44(47)37-35-33-31-29-27-25-18-16-14-12-10-8-6-2/h16,18,43H,5-15,17,19-42H2,1-4H3,(H,49,50)/b18-16-
C45H88NO8P802.15593300
1234

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