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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 39 results

Search term: C47H83O13P (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
34448968

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C47H83O13P/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/h11,13,17,19,22,24,28,30,39,42-47,50-54H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,55,56)/b13-11-,19-17-,24-22-,30-28-/t39-,42-,43-,44+,45-,46-,47-/m1/s1
C47H83O13P887.12794500
58145724

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C47H83O13P/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/h5,7,11,13,17,19,22-23,39,42-47,50-54H,3-4,6,8-10,12,14-16,18,20-21,24-38H2,1-2H3,(H,55,56)/b7-5-,13-11-,19-17-,23-22-/t39-,42-,43-,44+,45-,46-,47-/m1/s1
C47H83O13P887.12793400
4946102

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C47H83O13P/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/h11,13,17,19,22,24,28,30,39,42-47,50-54H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,55,56)/b13-11-,19-17-,24-22-,30-28-/t39-,42?,43-,44+,45+,46+,47?/m1/s1
C47H83O13P887.12793300
7968647

Double-bond stereo

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C47H83O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(50)58-40(39-57-61(54,55)60-47-46(53)45(52)44(51)41(37-48)59-47)38-56-42(49)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,40-41,44-48,51-53H,3-10,12,14-16,18,20-21,23,25-27,29,31-39H2,1-2H3,(H,54,55)/b13-11-,19-17-,24-22-,30-28-/t40-,41-,44-,45?,46?,47+/m1/s1
C47H83O13P887.12793300
8435589

Double-bond stereo

4 of 7 defined stereocentres - 4/7 defined
InChI=1/C47H83O13P/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/h11,13,17,19,22,24,28,30,39,42-47,50-54H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,55,56)/b13-11+,19-17+,24-22+,30-28+/t39?,42?,43-,44+,45-,46-,47?/m1/s1
C47H83O13P887.12792100
8616162

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C47H83O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-34-40(48)56-36-39(58-41(49)35-31-26-24-22-20-18-16-14-12-10-8-6-4-2)37-57-61(55,59-38-32-28-27-29-33-38)60-47-45(53)43(51)42(50)44(52)46(47)54/h27-29,32-33,39,42-47,50-54H,3-26,30-31,34-37H2,1-2H3/t39-,42?,43-,44+,45-,46-,47?,61?/m1/s1
C47H83O13P887.12792100
107450864

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C47H83O13P/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/h11,13,17,19,22-23,27,29,39,42-47,50-54H,3-10,12,14-16,18,20-21,24-26,28,30-38H2,1-2H3,(H,55,56)/b13-11-,19-17-,23-22-,29-27-/t39-,42-,43-,44+,45-,46-,47-/m1/s1
C47H83O13P887.12792300
24767700

Double-bond stereo

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C47H83O13P/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/h11,13,17,19,22,24,28,30,39,42-47,50-54H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,55,56)/b13-11-,19-17-,24-22-,30-28-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
C47H83O13P887.12792200
24767701

Double-bond stereo

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C47H83O13P/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/h5,7,11,13,17,19,22,24,39,42-47,50-54H,3-4,6,8-10,12,14-16,18,20-21,23,25-38H2,1-2H3,(H,55,56)/b7-5-,13-11-,19-17-,24-22-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
C47H83O13P887.12791100
24767715

Double-bond stereo

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C47H83O13P/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/h14,16-17,19,22,24,28,30,39,42-47,50-54H,3-13,15,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,55,56)/b16-14-,19-17-,24-22-,30-28-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
C47H83O13P887.12791100
24767716

Double-bond stereo

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C47H83O13P/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/h11,13-14,16-17,19,22,24,39,42-47,50-54H,3-10,12,15,18,20-21,23,25-38H2,1-2H3,(H,55,56)/b13-11-,16-14-,19-17-,24-22-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
C47H83O13P887.12791100
24767785

Double-bond stereo

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C47H83O13P/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/h5,7,11,13,17,19,22-23,39,42-47,50-54H,3-4,6,8-10,12,14-16,18,20-21,24-38H2,1-2H3,(H,55,56)/b7-5-,13-11-,19-17-,23-22-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
C47H83O13P887.12791100
24767797

Double-bond stereo

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C47H83O13P/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/h5,7,11,13,17-18,20-21,39,42-47,50-54H,3-4,6,8-10,12,14-16,19,22-38H2,1-2H3,(H,55,56)/b7-5-,13-11-,18-17-,21-20-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
C47H83O13P887.12791100
24767799

Double-bond stereo

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C47H83O13P/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/h11,13,17-18,20-21,24-25,39,42-47,50-54H,3-10,12,14-16,19,22-23,26-38H2,1-2H3,(H,55,56)/b13-11-,18-17-,21-20-,25-24-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
C47H83O13P887.12791100
23229073

Double-bond stereo

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C47H83O13P/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/h11,13,17,19,22,24,28,30,39,42-47,50-54H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,55,56)/b13-11+,19-17+,24-22+,30-28+
C47H83O13P887.12791100
24608353

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C47H83O13P/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/h13,15,19-20,24,26,30,32,39,42-47,50-54H,3-12,14,16-18,21-23,25,27-29,31,33-38H2,1-2H3,(H,55,56)/b15-13-,20-19-,26-24-,32-30-/t39?,42-,43-,44+,45-,46-,47-/m1/s1
C47H83O13P887.12791600
24608359

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C47H83O13P/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/h19-20,24,26,29-32,39,42-47,50-54H,3-18,21-23,25,27-28,33-38H2,1-2H3,(H,55,56)/b20-19-,26-24-,31-29-,32-30-/t39?,42-,43-,44+,45-,46-,47-/m1/s1
C47H83O13P887.12791300
24767678

Double-bond stereo

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C47H83O13P/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/h5,7,11,13,17-18,20-21,39,42-47,50-54H,3-4,6,8-10,12,14-16,19,22-38H2,1-2H3,(H,55,56)/b7-5-,13-11-,18-17-,21-20-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
C47H83O13P887.12791100
24767679

Double-bond stereo

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C47H83O13P/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/h11,13,17-18,20-21,24,26,39,42-47,50-54H,3-10,12,14-16,19,22-23,25,27-38H2,1-2H3,(H,55,56)/b13-11-,18-17-,21-20-,26-24-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
C47H83O13P887.12791100
12

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