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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 16 results

Search term: C49H83O13P (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24608357

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C49H83O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(51)61-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)39-59-42(50)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,26,28,32,34,41,44-49,52-56H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-31,33,35-40H2,1-2H3,(H,57,58)/b7-5-,13-11-,19-17-,22-21-,28-26-,34-32-/t41?,44-,45-,46+,47-,48-,49-/m1/s1
C49H83O13P911.14931600
24767706

Double-bond stereo

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C49H83O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(51)61-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)39-59-42(50)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,26,28,32,34,41,44-49,52-56H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-31,33,35-40H2,1-2H3,(H,57,58)/b7-5-,13-11-,19-17-,22-21-,28-26-,34-32-/t41-,44?,45-,46?,47?,48?,49-/m1/s1
C49H83O13P911.14931100
24767795

Double-bond stereo

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C49H83O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(50)59-39-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,28,30,41,44-49,52-56H,3-10,15-16,20,24-27,29,31-40H2,1-2H3,(H,57,58)/b13-11-,14-12-,19-17-,22-21-,23-18-,30-28-/t41-,44?,45-,46?,47?,48?,49-/m1/s1
C49H83O13P911.14931100
24767796

Double-bond stereo

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C49H83O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(50)59-39-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,41,44-49,52-56H,3-5,7,9-10,15-16,20,24-40H2,1-2H3,(H,57,58)/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-/t41-,44?,45-,46?,47?,48?,49-/m1/s1
C49H83O13P911.14931100
24767805

Double-bond stereo

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C49H83O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(50)59-39-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,25,27,31,33,41,44-49,52-56H,3-4,6,8-10,12,14-16,18,20,23-24,26,28-30,32,34-40H2,1-2H3,(H,57,58)/b7-5-,13-11-,19-17-,22-21-,27-25-,33-31-/t41-,44?,45-,46?,47?,48?,49-/m1/s1
C49H83O13P911.14931100
113377855

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C49H83O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(51)61-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)39-59-42(50)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,26,28,32,34,41,44-49,52-56H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-31,33,35-40H2,1-2H3,(H,57,58)/b7-5-,13-11-,19-17-,22-21-,28-26-,34-32-/t41-,44-,45-,46+,47-,48-,49-/m1/s1
C49H83O13P911.14931100
113378176

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C49H83O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(51)61-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)39-59-42(50)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,26,28,41,44-49,52-56H,3-10,15-16,20,24-25,27,29-40H2,1-2H3,(H,57,58)/b13-11-,14-12-,19-17-,22-21-,23-18-,28-26-/t41-,44-,45-,46+,47-,48-,49-/m1/s1
C49H83O13P911.14931100
113378264

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C49H83O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(51)61-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)39-59-42(50)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,23,27,29,41,44-49,52-56H,3-5,7,9-10,15-16,20-22,24-26,28,30-40H2,1-2H3,(H,57,58)/b8-6-,13-11-,14-12-,19-17-,23-18-,29-27-/t41-,44-,45-,46+,47-,48-,49-/m1/s1
C49H83O13P911.14931100
113378362

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C49H83O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(50)59-39-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,24,26,30,32,41,44-49,52-56H,3-5,7,9-11,13,15-16,21-23,25,27-29,31,33-40H2,1-2H3,(H,57,58)/b8-6-,14-12-,19-17-,20-18-,26-24-,32-30-/t41-,44-,45-,46+,47-,48-,49-/m1/s1
C49H83O13P911.14931100
113378392

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C49H83O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(50)59-39-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,24,26,30,32,41,44-49,52-56H,3-10,15-16,21-23,25,27-29,31,33-40H2,1-2H3,(H,57,58)/b13-11-,14-12-,19-17-,20-18-,26-24-,32-30-/t41-,44-,45-,46+,47-,48-,49-/m1/s1
C49H83O13P911.14931100
113378422

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C49H83O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(50)59-39-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,41,44-49,52-56H,3-10,15-16,21-22,27-40H2,1-2H3,(H,57,58)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t41-,44-,45-,46+,47-,48-,49-/m1/s1
C49H83O13P911.14931100
113378450

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C49H83O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(50)59-39-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23,25,29,31,41,44-49,52-56H,3-10,15-16,21-22,24,26-28,30,32-40H2,1-2H3,(H,57,58)/b13-11-,14-12-,19-17-,20-18-,25-23-,31-29-/t41-,44-,45-,46+,47-,48-,49-/m1/s1
C49H83O13P911.14931100
113378478

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C49H83O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(50)59-39-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23,25,29,31,41,44-49,52-56H,3-4,6,8-10,12,14-16,21-22,24,26-28,30,32-40H2,1-2H3,(H,57,58)/b7-5-,13-11-,19-17-,20-18-,25-23-,31-29-/t41-,44-,45-,46+,47-,48-,49-/m1/s1
C49H83O13P911.14931100
113378581

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C49H83O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(50)59-39-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,23,28,30,41,44-49,52-56H,3-5,7,9-10,15-16,20-22,24-27,29,31-40H2,1-2H3,(H,57,58)/b8-6-,13-11-,14-12-,19-17-,23-18-,30-28-/t41-,44-,45-,46+,47-,48-,49-/m1/s1
C49H83O13P911.14931100
113378609

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C49H83O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(50)59-39-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,25,27,41,44-49,52-56H,3-10,15-16,20,24,26,28-40H2,1-2H3,(H,57,58)/b13-11-,14-12-,19-17-,22-21-,23-18-,27-25-/t41-,44-,45-,46+,47-,48-,49-/m1/s1
C49H83O13P911.14931100
113378636

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C49H83O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(50)59-39-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,25,27,31,33,41,44-49,52-56H,3-4,6,8-10,12,14-16,18,20,23-24,26,28-30,32,34-40H2,1-2H3,(H,57,58)/b7-5-,13-11-,19-17-,22-21-,27-25-,33-31-/t41-,44-,45-,46+,47-,48-,49-/m1/s1
C49H83O13P911.14931100

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