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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 14 results

Search term: C46H87NO13 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24765743

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C46H87NO13/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(50)34(47-38(51)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)33-57-45-43(56)41(54)44(37(32-49)59-45)60-46-42(55)40(53)39(52)36(31-48)58-46/h27,29,34-37,39-46,48-50,52-56H,3-26,28,30-33H2,1-2H3,(H,47,51)/b29-27+/t34-,35+,36+,37+,39-,40-,41+,42+,43+,44+,45+,46-/m0/s1
C46H87NO13862.1819181800
16744850

Double-bond stereo

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C46H87NO13/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(50)34(47-38(51)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)33-57-45-43(56)41(54)44(37(32-49)59-45)60-46-42(55)40(53)39(52)36(31-48)58-46/h27,29,34-37,39-46,48-50,52-56H,3-26,28,30-33H2,1-2H3,(H,47,51)/b29-27-/t34?,35?,36-,37-,39+,40+,41-,42-,43-,44+,45-,46-/m1/s1
C46H87NO13862.18194400
113383681

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C46H87NO13/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(50)34(47-38(51)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)33-57-45-43(56)41(54)44(37(32-49)59-45)60-46-42(55)40(53)39(52)36(31-48)58-46/h27,29,34-37,39-46,48-50,52-56H,3-26,28,30-33H2,1-2H3,(H,47,51)/b29-27+/t34-,35+,36+,37+,39-,40-,41+,42+,43+,44-,45+,46+/m0/s1
C46H87NO13862.18193300
9030209

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C46H87NO13/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(50)34(47-38(51)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)33-57-45-43(56)41(54)44(37(32-49)59-45)60-46-42(55)40(53)39(52)36(31-48)58-46/h27,29,34-37,39-46,48-50,52-56H,3-26,28,30-33H2,1-2H3,(H,47,51)/b29-27+/t34-,35-,36+,37+,39-,40-,41+,42+,43+,44+,45+,46-/m0/s1
C46H87NO13862.18192100
9717235

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C46H87NO13/c1-5-7-9-11-12-13-14-15-20-23-27-31-38(49)58-34(28-24-10-8-6-2)29-25-21-18-16-17-19-22-26-30-37(48)47(32-35-39(50)41(52)43(54)45(56-3)59-35)33-36-40(51)42(53)44(55)46(57-4)60-36/h34-36,39-46,50-55H,5-33H2,1-4H3/t34-,35-,36-,39-,40-,41+,42+,43-,44-,45+,46+/m1/s1
C46H87NO13862.18192100
24846890

Double-bond stereo

8 of 12 defined stereocentres - 8/12 defined
InChI=1/C46H87NO13/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(50)34(47-38(51)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)33-57-45-43(56)41(54)44(37(32-49)59-45)60-46-42(55)40(53)39(52)36(31-48)58-46/h27,29,34-37,39-46,48-50,52-56H,3-26,28,30-33H2,1-2H3,(H,47,51)/b29-27+/t34-,35+,36?,37?,39-,40-,41+,42?,43?,44+,45+,46-/m0/s1
C46H87NO13862.18191100
24846906

Double-bond stereo

8 of 12 defined stereocentres - 8/12 defined
InChI=1/C46H87NO13/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(50)34(47-38(51)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)33-57-45-43(56)41(54)44(37(32-49)59-45)60-46-42(55)40(53)39(52)36(31-48)58-46/h27,29,34-37,39-46,48-50,52-56H,3-26,28,30-33H2,1-2H3,(H,47,51)/b29-27+/t34-,35+,36?,37?,39+,40-,41+,42?,43?,44+,45+,46-/m0/s1
C46H87NO13862.18191100
24848706

Double-bond stereo

8 of 12 defined stereocentres - 8/12 defined
InChI=1/C46H87NO13/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(50)34(47-38(51)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)33-57-45-43(56)41(54)44(37(32-49)59-45)60-46-42(55)40(53)39(52)36(31-48)58-46/h27,29,34-37,39-46,48-50,52-56H,3-26,28,30-33H2,1-2H3,(H,47,51)/b29-27+/t34-,35+,36?,37?,39-,40-,41+,42?,43?,44-,45+,46-/m0/s1
C46H87NO13862.18191100
59696959

Double-bond stereo

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C46H87NO13/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(50)34(47-38(51)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)33-57-45-43(56)41(54)44(37(32-49)59-45)60-46-42(55)40(53)39(52)36(31-48)58-46/h27,29,34-37,39-46,48-50,52-56H,3-26,28,30-33H2,1-2H3,(H,47,51)/b29-27+/t34?,35?,36-,37-,39+,40+,41-,42-,43-,44+,45-,46-/m1/s1
C46H87NO13862.18191100
95601003

Double-bond stereo

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C46H87NO13/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(50)34(47-38(51)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)33-57-45-43(56)41(54)44(37(32-49)59-45)60-46-42(55)40(53)39(52)36(31-48)58-46/h27,29,34-37,39-46,48-50,52-56H,3-26,28,30-33H2,1-2H3,(H,47,51)/t34?,35?,36-,37-,39+,40+,41-,42-,43-,44+,45-,46-/m1/s1
C46H87NO13862.18191100
113381926

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C46H87NO13/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(50)34(47-38(51)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)33-57-45-43(56)41(54)44(37(32-49)59-45)60-46-42(55)40(53)39(52)36(31-48)58-46/h27,29,34-37,39-46,48-50,52-56H,3-26,28,30-33H2,1-2H3,(H,47,51)/b29-27+/t34-,35+,36+,37+,39+,40-,41+,42-,43+,44+,45+,46-/m0/s1
C46H87NO13862.18191100

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