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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 30 results

Search term: C47H85O13P (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
58145722

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C47H85O13P/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/h11,13,17-18,20-21,39,42-47,50-54H,3-10,12,14-16,19,22-38H2,1-2H3,(H,55,56)/b13-11-,18-17-,21-20-/t39-,42-,43-,44+,45-,46-,47-/m1/s1
C47H85O13P889.14383400
113378035

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C47H85O13P/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/h11,13-14,16-18,39,42-47,50-54H,3-10,12,15,19-38H2,1-2H3,(H,55,56)/b13-11-,16-14-,18-17-/t39-,42-,43-,44+,45-,46-,47-/m1/s1
C47H85O13P889.14381100
113378145

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C47H85O13P/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/h11,13,17-19,21,39,42-47,50-54H,3-10,12,14-16,20,22-38H2,1-2H3,(H,55,56)/b13-11-,19-17-,21-18-/t39-,42-,43-,44+,45-,46-,47-/m1/s1
C47H85O13P889.14381100
113378168

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C47H85O13P/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/h12,14,17-19,21,39,42-47,50-54H,3-11,13,15-16,20,22-38H2,1-2H3,(H,55,56)/b14-12-,19-17-,21-18-/t39-,42-,43-,44+,45-,46-,47-/m1/s1
C47H85O13P889.14381100
113378196

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C47H85O13P/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/h12,14,18,21,25,27,39,42-47,50-54H,3-11,13,15-17,19-20,22-24,26,28-38H2,1-2H3,(H,55,56)/b14-12-,21-18-,27-25-/t39-,42-,43-,44+,45-,46-,47-/m1/s1
C47H85O13P889.14381100
113378224

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C47H85O13P/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/h6,8,12,14,18,21,39,42-47,50-54H,3-5,7,9-11,13,15-17,19-20,22-38H2,1-2H3,(H,55,56)/b8-6-,14-12-,21-18-/t39-,42-,43-,44+,45-,46-,47-/m1/s1
C47H85O13P889.14381100
113378329

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C47H85O13P/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/h12,14,18,21,26,28,39,42-47,50-54H,3-11,13,15-17,19-20,22-25,27,29-38H2,1-2H3,(H,55,56)/b14-12-,21-18-,28-26-/t39-,42-,43-,44+,45-,46-,47-/m1/s1
C47H85O13P889.14381100
113378330

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C47H85O13P/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/h6,8,12,14,18,21,39,42-47,50-54H,3-5,7,9-11,13,15-17,19-20,22-38H2,1-2H3,(H,55,56)/b8-6-,14-12-,21-18-/t39-,42-,43-,44+,45-,46-,47-/m1/s1
C47H85O13P889.14381100
113378352

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C47H85O13P/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/h12,14,17-19,21,39,42-47,50-54H,3-11,13,15-16,20,22-38H2,1-2H3,(H,55,56)/b14-12-,19-17-,21-18-/t39-,42-,43-,44+,45-,46-,47-/m1/s1
C47H85O13P889.14381100
113378381

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C47H85O13P/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/h11,13,17-19,21,39,42-47,50-54H,3-10,12,14-16,20,22-38H2,1-2H3,(H,55,56)/b13-11-,19-17-,21-18-/t39-,42-,43-,44+,45-,46-,47-/m1/s1
C47H85O13P889.14381100
113378411

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C47H85O13P/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/h11,13,17,19,22-23,39,42-47,50-54H,3-10,12,14-16,18,20-21,24-38H2,1-2H3,(H,55,56)/b13-11-,19-17-,23-22-/t39-,42-,43-,44+,45-,46-,47-/m1/s1
C47H85O13P889.14381100
113378573

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C47H85O13P/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/h11,13-14,16-18,39,42-47,50-54H,3-10,12,15,19-38H2,1-2H3,(H,55,56)/b13-11-,16-14-,18-17-/t39-,42-,43-,44+,45-,46-,47-/m1/s1
C47H85O13P889.14381100
113378694

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C47H85O13P/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/h11,13,17,19,22,24,39,42-47,50-54H,3-10,12,14-16,18,20-21,23,25-38H2,1-2H3,(H,55,56)/b13-11-,19-17-,24-22-/t39-,42-,43-,44+,45-,46-,47-/m1/s1
C47H85O13P889.14381100
117225439

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C47H85O13P/c1-4-6-23-30-41(49)31-25-20-17-18-21-26-32-44(51)45(52)33-28-35-47(54)60-43(39-59-61(55,56)58-37-42(50)36-48)38-57-46(53)34-27-22-16-14-12-10-8-7-9-11-13-15-19-24-29-40(3)5-2/h17-18,20-21,25-26,31-32,40-45,48-52H,4-16,19,22-24,27-30,33-39H2,1-3H3,(H,55,56)/b20-17-,21-18+,31-25+,32-26+/t40?,41-,42-,43+,44-,45-/m0/s1
C47H85O13P889.14381100
117225440

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C47H85O13P/c1-4-6-23-30-41(49)31-25-20-17-18-21-26-32-44(51)45(52)33-28-35-46(53)57-38-43(39-59-61(55,56)58-37-42(50)36-48)60-47(54)34-27-22-16-14-12-10-8-7-9-11-13-15-19-24-29-40(3)5-2/h17-18,20-21,25-26,31-32,40-45,48-52H,4-16,19,22-24,27-30,33-39H2,1-3H3,(H,55,56)/b20-17-,21-18+,31-25+,32-26+/t40?,41-,42+,43-,44-,45-/m1/s1
C47H85O13P889.14381100
24608352

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C47H85O13P/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/h19-20,24,26,30,32,39,42-47,50-54H,3-18,21-23,25,27-29,31,33-38H2,1-2H3,(H,55,56)/b20-19-,26-24-,32-30-/t39?,42-,43-,44+,45-,46-,47-/m1/s1
C47H85O13P889.14381600
24767677

Double-bond stereo

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C47H85O13P/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/h11,13,17-18,20-21,39,42-47,50-54H,3-10,12,14-16,19,22-38H2,1-2H3,(H,55,56)/b13-11-,18-17-,21-20-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
C47H85O13P889.14381100
24767698

Double-bond stereo

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C47H85O13P/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/h17,19,22,24,28,30,39,42-47,50-54H,3-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,55,56)/b19-17-,24-22-,30-28-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
C47H85O13P889.14381100
24767699

Double-bond stereo

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C47H85O13P/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/h11,13,17,19,22,24,39,42-47,50-54H,3-10,12,14-16,18,20-21,23,25-38H2,1-2H3,(H,55,56)/b13-11-,19-17-,24-22-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
C47H85O13P889.14381100
24767792

Double-bond stereo

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C47H85O13P/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/h11,13,17-18,20-21,39,42-47,50-54H,3-10,12,14-16,19,22-38H2,1-2H3,(H,55,56)/b13-11-,18-17-,21-20-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
C47H85O13P889.14381100
12

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