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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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Single/Multi-component
Isotopically Labeled
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Found 67 results

Search term: C47H86NO8P (Found by molecular formula)
1234
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24768692

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,45H,3-10,12,14-16,18,20-21,23,25-27,29,31-44,48H2,1-2H3,(H,51,52)/b13-11-,19-17-,24-22-,30-28-/t45-/m1/s1
C47H86NO8P824.16146600
24768756

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,45H,3-10,15-16,21-44,48H2,1-2H3,(H,51,52)/b13-11-,14-12-,19-17-,20-18-/t45-/m1/s1
C47H86NO8P824.16146600
24768853

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,25,27,31,33,45H,3-11,13,15-17,19,21-24,26,28-30,32,34-44,48H2,1-2H3,(H,51,52)/b14-12-,20-18-,27-25-,33-31-/t45-/m1/s1
C47H86NO8P824.16146600
24768945

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,26,28,32,34,45H,3-11,13,15-17,19,21-25,27,29-31,33,35-44,48H2,1-2H3,(H,51,52)/b14-12-,20-18-,28-26-,34-32-/t45-/m1/s1
C47H86NO8P824.16146600
24769005

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,45H,3-10,15-16,21-44,48H2,1-2H3,(H,51,52)/b13-11-,14-12-,19-17-,20-18-/t45-/m1/s1
C47H86NO8P824.16146600
24769036

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,27,29,45H,3-10,12,14-16,18,20-21,23,25-26,28,30-44,48H2,1-2H3,(H,51,52)/b13-11-,19-17-,24-22-,29-27-/t45-/m1/s1
C47H86NO8P824.16146600
24769195

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H86NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,25,45H,3-5,7,9-11,13,15-16,20-24,26-44,48H2,1-2H3,(H,51,52)/b8-6-,14-12-,19-17-,25-18-/t45-/m1/s1
C47H86NO8P824.16146600
24769165

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H86NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,25,30,32,45H,3-5,7,9-11,13,15-17,19-24,26-29,31,33-44,48H2,1-2H3,(H,51,52)/b8-6-,14-12-,25-18-,32-30-/t45-/m1/s1
C47H86NO8P824.16145500
24769194

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H86NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h12,14,17-19,25,30,32,45H,3-11,13,15-16,20-24,26-29,31,33-44,48H2,1-2H3,(H,51,52)/b14-12-,19-17-,25-18-,32-30-/t45-/m1/s1
C47H86NO8P824.16145500
24768946

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,26,28,45H,3-5,7,9-11,13,15-17,19,21-25,27,29-44,48H2,1-2H3,(H,51,52)/b8-6-,14-12-,20-18-,28-26-/t45-/m1/s1
C47H86NO8P824.16145500
24768973

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h17-20,26,28,32,34,45H,3-16,21-25,27,29-31,33,35-44,48H2,1-2H3,(H,51,52)/b19-17-,20-18-,28-26-,34-32-/t45-/m1/s1
C47H86NO8P824.16145500
24768974

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,26,28,45H,3-11,13,15-16,21-25,27,29-44,48H2,1-2H3,(H,51,52)/b14-12-,19-17-,20-18-,28-26-/t45-/m1/s1
C47H86NO8P824.16145500
24768886

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,25,27,45H,3-5,7,9-11,13,15-17,19,21-24,26,28-44,48H2,1-2H3,(H,51,52)/b8-6-,14-12-,20-18-,27-25-/t45-/m1/s1
C47H86NO8P824.16145500
24768609

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H86NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h12,14,17-19,25,29,31,45H,3-11,13,15-16,20-24,26-28,30,32-44,48H2,1-2H3,(H,51,52)/b14-12-,19-17-,25-18-,31-29-/t45-/m1/s1
C47H86NO8P824.16145500
24768641

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H86NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,25,45H,3-5,7,9-11,13,15-16,20-24,26-44,48H2,1-2H3,(H,51,52)/b8-6-,14-12-,19-17-,25-18-/t45-/m1/s1
C47H86NO8P824.16145500
24768673

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H86NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,25,29,31,45H,3-5,7,9-11,13,15-17,19-24,26-28,30,32-44,48H2,1-2H3,(H,51,52)/b8-6-,14-12-,25-18-,31-29-/t45-/m1/s1
C47H86NO8P824.16145500
24768788

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h17-20,25,27,31,33,45H,3-16,21-24,26,28-30,32,34-44,48H2,1-2H3,(H,51,52)/b19-17-,20-18-,27-25-,33-31-/t45-/m1/s1
C47H86NO8P824.16145500
24768821

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,25,27,45H,3-11,13,15-16,21-24,26,28-44,48H2,1-2H3,(H,51,52)/b14-12-,19-17-,20-18-,27-25-/t45-/m1/s1
C47H86NO8P824.16145500
74851261

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C47H86NO8P/c1-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48(3)4)56-47(50)40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-2/h13-16,19-21,25,45H,5-12,17-18,22-24,26-44H2,1-4H3,(H,51,52)/b15-13-,16-14-,21-19-,25-20-
C47H86NO8P824.16143300
74851287

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C47H86NO8P/c1-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48(3)4)56-47(50)40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-2/h13,15,19,21,23-24,27,29,45H,5-12,14,16-18,20,22,25-26,28,30-44H2,1-4H3,(H,51,52)/b15-13-,21-19-,24-23-,29-27-
C47H86NO8P824.16143300
1234

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