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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 9 results

Search term: C60H92N12O10 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
66085

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C60H92N12O10/c1-35(2)31-43-53(75)67-45(33-39-19-11-9-12-20-39)59(81)71-29-17-25-47(71)55(77)70-50(38(7)8)58(80)64-42(24-16-28-62)52(74)66-44(32-36(3)4)54(76)68-46(34-40-21-13-10-14-22-40)60(82)72-30-18-26-48(72)56(78)69-49(37(5)6)57(79)63-41(23-15-27-61)51(73)65-43/h9-14,19-22,35-38,41-50H,15-18,23-34,61-62H2,1-8H3,(H,63,79)(H,64,80)(H,65,73)(H,66,74)(H,67,75)(H,68,76)(H,69,78)(H,70,77)/t41-,42-,43-,44-,45+,46+,47-,48-,49-,50-/m0/s1
C60H92N12O101141.44693844620171
21344370

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C60H92N12O10/c1-35(2)31-43-53(75)67-45(33-39-19-11-9-12-20-39)59(81)71-29-17-25-47(71)55(77)70-50(38(7)8)58(80)64-42(24-16-28-62)52(74)66-44(32-36(3)4)54(76)68-46(34-40-21-13-10-14-22-40)60(82)72-30-18-26-48(72)56(78)69-49(37(5)6)57(79)63-41(23-15-27-61)51(73)65-43/h9-14,19-22,35-38,41-50H,15-18,23-34,61-62H2,1-8H3,(H,63,79)(H,64,80)(H,65,73)(H,66,74)(H,67,75)(H,68,76)(H,69,78)(H,70,77)/t41-,42-,43-,44-,45+,46+,47-,48-,49-,50-/m1/s1
C60H92N12O101141.446910700
24676637

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C60H92N12O10/c1-35(2)31-45-59(81)71-29-17-25-47(71)55(77)65-43(33-39-19-11-9-12-20-39)53(75)70-50(38(7)8)58(80)64-42(24-16-28-62)52(74)68-46(32-36(3)4)60(82)72-30-18-26-48(72)56(78)66-44(34-40-21-13-10-14-22-40)54(76)69-49(37(5)6)57(79)63-41(23-15-27-61)51(73)67-45/h9-14,19-22,35-38,41-50H,15-18,23-34,61-62H2,1-8H3,(H,63,79)(H,64,80)(H,65,77)(H,66,78)(H,67,73)(H,68,74)(H,69,76)(H,70,75)/t41-,42-,43-,44-,45-,46-,47+,48+,49-,50-/m0/s1
C60H92N12O101141.44692200
9392098

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C60H92N12O10/c1-35(2)31-45-51(73)63-27-15-24-44(66-58(80)50(38(7)8)70-56(78)48-26-18-30-72(48)60(82)42(62)34-40-21-13-10-14-22-40)54(76)68-46(32-36(3)4)52(74)64-28-16-23-43(53(75)67-45)65-57(79)49(37(5)6)69-55(77)47-25-17-29-71(47)59(81)41(61)33-39-19-11-9-12-20-39/h9-14,19-22,35-38,41-50H,15-18,23-34,61-62H2,1-8H3,(H,63,73)(H,64,74)(H,65,79)(H,66,80)(H,67,75)(H,68,76)(H,69,77)(H,70,78)/t41-,42-,43+,44+,45+,46+,47+,48+,49+,50+/m1/s1
C60H92N12O101141.44692100
17463500

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C60H92N12O10/c1-35(2)31-43-53(75)67-45(33-39-19-11-9-12-20-39)59(81)71-29-17-25-47(71)55(77)70-50(38(7)8)58(80)64-42(24-16-28-62)52(74)66-44(32-36(3)4)54(76)68-46(34-40-21-13-10-14-22-40)60(82)72-30-18-26-48(72)56(78)69-49(37(5)6)57(79)63-41(23-15-27-61)51(73)65-43/h9-14,19-22,35-38,41-50H,15-18,23-34,61-62H2,1-8H3,(H,63,79)(H,64,80)(H,65,73)(H,66,74)(H,67,75)(H,68,76)(H,69,78)(H,70,77)/t41-,42-,43-,44-,45+,46+,47-,48?,49-,50-/m1/s1
C60H92N12O101141.44691100
78075841

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C60H92N12O10/c1-35(2)31-43-53(75)67-45(33-39-19-11-9-12-20-39)59(81)71-29-17-25-47(71)55(77)70-50(38(7)8)58(80)64-42(24-16-28-62)52(74)66-44(32-36(3)4)54(76)68-46(34-40-21-13-10-14-22-40)60(82)72-30-18-26-48(72)56(78)69-49(37(5)6)57(79)63-41(23-15-27-61)51(73)65-43/h9-14,19-22,35-38,41-50H,15-18,23-34,61-62H2,1-8H3,(H,63,79)(H,64,80)(H,65,73)(H,66,74)(H,67,75)(H,68,76)(H,69,78)(H,70,77)/t41-,42-,43-,44-,45+,46+,47-,48?,49?,50-/m1/s1
C60H92N12O101141.44691100
90664245

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C60H92N12O10/c1-35(2)31-43-53(75)67-45(33-39-19-11-9-12-20-39)59(81)71-29-17-25-47(71)55(77)70-50(38(7)8)58(80)64-42(24-16-28-62)52(74)66-44(32-36(3)4)54(76)68-46(34-40-21-13-10-14-22-40)60(82)72-30-18-26-48(72)56(78)69-49(37(5)6)57(79)63-41(23-15-27-61)51(73)65-43/h9-14,19-22,35-38,41-50H,15-18,23-34,61-62H2,1-8H3,(H,63,79)(H,64,80)(H,65,73)(H,66,74)(H,67,75)(H,68,76)(H,69,78)(H,70,77)/t41-,42?,43-,44-,45+,46+,47-,48-,49-,50-/m0/s1
C60H92N12O101141.44691100
95635858

Double-bond stereo
InChI=1/C60H92N12O10/c1-35(2)31-43-53(75)67-45(33-39-19-11-9-12-20-39)59(81)71-29-17-25-47(71)55(77)70-50(38(7)8)58(80)64-42(24-16-28-62)52(74)66-44(32-36(3)4)54(76)68-46(34-40-21-13-10-14-22-40)60(82)72-30-18-26-48(72)56(78)69-49(37(5)6)57(79)63-41(23-15-27-61)51(73)65-43/h9-14,19-22,35-38,63-70,73-82H,15-18,23-34,61-62H2,1-8H3/b51-41+,52-42+,53-43+,54-44+,55-47+,56-48+,57-49-,58-50-,59-45-,60-46-
C60H92N12O101141.44691100

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