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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 14 results

Search term: C47H79O13P (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24608348

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C47H79O13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,24,26,30,32,39,42-47,50-54H,3-4,6,8-10,12,14-16,19,22-23,25,27-29,31,33-38H2,1-2H3,(H,55,56)/b7-5-,13-11-,18-17-,21-20-,26-24-,32-30-/t39?,42-,43-,44+,45-,46-,47-/m1/s1
C47H79O13P883.09611300
24608489

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C47H79O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h7,9,13,15,19-20,24,26,29-32,39,42-47,50-54H,3-6,8,10-12,14,16-18,21-23,25,27-28,33-38H2,1-2H3,(H,55,56)/b9-7-,15-13-,20-19-,26-24-,31-29-,32-30-/t39?,42-,43-,44+,45-,46-,47-/m1/s1
C47H79O13P883.09611100
113377854

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C47H79O13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,24,26,30,32,39,42-47,50-54H,3-4,6,8-10,12,14-16,19,22-23,25,27-29,31,33-38H2,1-2H3,(H,55,56)/b7-5-,13-11-,18-17-,21-20-,26-24-,32-30-/t39-,42-,43-,44+,45-,46-,47-/m1/s1
C47H79O13P883.09611100
113378199

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C47H79O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-22,24-25,27,39,42-47,50-54H,3-10,15-16,20,23,26,28-38H2,1-2H3,(H,55,56)/b13-11-,14-12-,19-17-,21-18-,24-22-,27-25-/t39-,42-,43-,44+,45-,46-,47-/m1/s1
C47H79O13P883.09611100
113378227

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C47H79O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-22,24,39,42-47,50-54H,3-5,7,9-10,15-16,20,23,25-38H2,1-2H3,(H,55,56)/b8-6-,13-11-,14-12-,19-17-,21-18-,24-22-/t39-,42-,43-,44+,45-,46-,47-/m1/s1
C47H79O13P883.09611100
113378257

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C47H79O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21,25,27,39,42-47,50-54H,3-5,7,9-10,15-16,20,22-24,26,28-38H2,1-2H3,(H,55,56)/b8-6-,13-11-,14-12-,19-17-,21-18-,27-25-/t39-,42-,43-,44+,45-,46-,47-/m1/s1
C47H79O13P883.09611100
113378385

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C47H79O13P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21,26,28,39,42-47,50-54H,3-5,7,9-10,15-16,20,22-25,27,29-38H2,1-2H3,(H,55,56)/b8-6-,13-11-,14-12-,19-17-,21-18-,28-26-/t39-,42-,43-,44+,45-,46-,47-/m1/s1
C47H79O13P883.09611100
113378414

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C47H79O13P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,26,28,39,42-47,50-54H,3-10,15-16,20,24-25,27,29-38H2,1-2H3,(H,55,56)/b13-11-,14-12-,19-17-,21-18-,23-22-,28-26-/t39-,42-,43-,44+,45-,46-,47-/m1/s1
C47H79O13P883.09611100
113378415

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C47H79O13P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,39,42-47,50-54H,3-5,7,9-10,15-16,20,24-38H2,1-2H3,(H,55,56)/b8-6-,13-11-,14-12-,19-17-,21-18-,23-22-/t39-,42-,43-,44+,45-,46-,47-/m1/s1
C47H79O13P883.09611100
113378442

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C47H79O13P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,27,29,39,42-47,50-54H,3-10,15-16,20,24-26,28,30-38H2,1-2H3,(H,55,56)/b13-11-,14-12-,19-17-,21-18-,23-22-,29-27-/t39-,42-,43-,44+,45-,46-,47-/m1/s1
C47H79O13P883.09611100
113378655

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C47H79O13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,24-25,29,31,39,42-47,50-54H,3-4,6,8-10,12,14-16,19,22-23,26-28,30,32-38H2,1-2H3,(H,55,56)/b7-5-,13-11-,18-17-,21-20-,25-24-,31-29-/t39-,42-,43-,44+,45-,46-,47-/m1/s1
C47H79O13P883.09611100
113378666

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C47H79O13P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-23,27,29,39,42-47,50-54H,3-4,6,8-10,12,14-16,20,24-26,28,30-38H2,1-2H3,(H,55,56)/b7-5-,13-11-,19-17-,21-18-,23-22-,29-27-/t39-,42-,43-,44+,45-,46-,47-/m1/s1
C47H79O13P883.09611100
113378685

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C47H79O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-22,24,28,30,39,42-47,50-54H,3-10,15-16,20,23,25-27,29,31-38H2,1-2H3,(H,55,56)/b13-11-,14-12-,19-17-,21-18-,24-22-,30-28-/t39-,42-,43-,44+,45-,46-,47-/m1/s1
C47H79O13P883.09611100
113378688

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C47H79O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-22,24,28,30,39,42-47,50-54H,3-4,6,8-10,12,14-16,20,23,25-27,29,31-38H2,1-2H3,(H,55,56)/b7-5-,13-11-,19-17-,21-18-,24-22-,30-28-/t39-,42-,43-,44+,45-,46-,47-/m1/s1
C47H79O13P883.09611100

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