Matches any text strings used to describe a molecule.
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 8 results

Search term: C86H172O6 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4696841

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C86H172O6/c1-69-29-17-33-73(5)41-25-49-81(13)57-61-89-67-85(65-87)91-63-59-83(15)52-28-44-76(8)36-20-32-72(4)40-24-48-80(12)56-54-78(10)46-22-38-70(2)30-18-34-74(6)42-26-50-82(14)58-62-90-68-86(66-88)92-64-60-84(16)51-27-43-75(7)35-19-31-71(3)39-23-47-79(11)55-53-77(9)45-21-37-69/h69-88H,17-68H2,1-16H3/t69-,70-,71-,72-,73+,74+,75+,76+,77-,78-,79-,80-,81+,82+,83+,84+,85+,86+/m0/s1
C86H172O61302.2822899252
4534961

16 of 18 defined stereocentres - 16/18 defined
InChI=1/C86H172O6/c1-69-29-17-33-73(5)41-25-49-81(13)57-61-89-67-85(65-87)91-63-59-83(15)52-28-44-76(8)36-20-32-72(4)40-24-48-80(12)56-54-78(10)46-22-38-70(2)30-18-34-74(6)42-26-50-82(14)58-62-90-68-86(66-88)92-64-60-84(16)51-27-43-75(7)35-19-31-71(3)39-23-47-79(11)55-53-77(9)45-21-37-69/h69-88H,17-68H2,1-16H3/t69-,70-,71-,72-,73+,74+,75+,76+,77-,78-,79-,80-,81+,82+,83+,84+,85?,86?/m1/s1
C86H172O61302.28235400
8781794

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C86H172O6/c1-69-29-17-33-73(5)41-25-49-81(13)57-61-89-67-85(65-87)91-63-59-83(15)51-27-43-75(7)35-19-31-71(3)39-23-47-79(11)55-56-80(12)48-24-40-72(4)32-20-36-76(8)44-28-52-84(16)60-64-92-86(66-88)68-90-62-58-82(14)50-26-42-74(6)34-18-30-70(2)38-22-46-78(10)54-53-77(9)45-21-37-69/h69-88H,17-68H2,1-16H3/t69-,70-,71-,72-,73+,74+,75+,76+,77-,78-,79-,80-,81+,82+,83+,84+,85+,86+/m0/s1
C86H172O61302.282282100
24822159

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C86H172O6/c1-69-29-17-33-73(5)41-25-49-81(13)57-61-89-67-85(65-87)91-63-59-83(15)51-27-43-75(7)35-19-31-71(3)39-23-47-79(11)55-56-80(12)48-24-40-72(4)32-20-36-76(8)44-28-52-84(16)60-64-92-86(66-88)68-90-62-58-82(14)50-26-42-74(6)34-18-30-70(2)38-22-46-78(10)54-53-77(9)45-21-37-69/h69-88H,17-68H2,1-16H3/t69-,70-,71-,72-,73+,74+,75+,76+,77-,78-,79-,80-,81+,82+,83+,84+,85-,86+/m0/s1
C86H172O61302.28232200
29330153

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C86H172O6/c1-6-11-16-21-26-31-36-41-46-51-56-61-66-71-76-81(87)83(89)85(91,79-74-69-64-59-54-49-44-39-34-29-24-19-14-9-4)86(92,80-75-70-65-60-55-50-45-40-35-30-25-20-15-10-5)84(90,78-73-68-63-58-53-48-43-38-33-28-23-18-13-8-3)82(88)77-72-67-62-57-52-47-42-37-32-27-22-17-12-7-2/h81,83,87,89-92H,6-80H2,1-5H3/t81?,83-,84+,85-,86-/m1/s1
C86H172O61302.28231100
29330154

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C86H172O6/c1-6-11-16-21-26-31-36-41-46-51-56-61-66-71-76-81(87)82-83(88,77-72-67-62-57-52-47-42-37-32-27-22-17-12-7-2)84(89,78-73-68-63-58-53-48-43-38-33-28-23-18-13-8-3)85(90,79-74-69-64-59-54-49-44-39-34-29-24-19-14-9-4)86(91,92-82)80-75-70-65-60-55-50-45-40-35-30-25-20-15-10-5/h81-82,87-91H,6-80H2,1-5H3/t81?,82-,83+,84+,85-,86-/m1/s1
C86H172O61302.28231100
66424314

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C86H172O6/c1-6-11-16-21-26-31-36-41-46-51-56-61-66-71-76-82(88)84(90,78-73-68-63-58-53-48-43-38-33-28-23-18-13-8-3)86(92,80-75-70-65-60-55-50-45-40-35-30-25-20-15-10-5)85(91,79-74-69-64-59-54-49-44-39-34-29-24-19-14-9-4)83(89,81-87)77-72-67-62-57-52-47-42-37-32-27-22-17-12-7-2/h87,89-92H,6-81H2,1-5H3/t83-,84+,85-,86-/m1/s1
C86H172O61302.282311000
75550650

6 of 18 defined stereocentres - 6/18 defined
InChI=1/C86H172O6/c1-69-29-17-33-73(5)41-25-49-81(13)57-61-89-67-85(65-87)91-63-59-83(15)51-27-43-75(7)35-19-31-71(3)39-23-47-79(11)55-56-80(12)48-24-40-72(4)32-20-36-76(8)44-28-52-84(16)60-64-92-86(66-88)68-90-62-58-82(14)50-26-42-74(6)34-18-30-70(2)38-22-46-78(10)54-53-77(9)45-21-37-69/h69-88H,17-68H2,1-16H3
C86H172O61302.28231100

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