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
Additional Filters

Found 6 results

Search term: LMZKVILFCFSDGK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
143587

0 of 33 defined stereocentres - 0/33 defined
InChI=1/C61H86O19/c1-26-13-32-7-9-36-27(2)14-34(65-36)11-12-59-23-47-55(79-59)56-57(73-47)58(80-59)54-37(70-56)10-8-33(67-54)15-49(64)74-53-31(6)52-44(69-43(53)16-38(66-32)30(26)5)19-42-46(72-52)22-61(75-42)24-48-51(78-61)29(4)21-60(77-48)20-28(3)50-45(76-60)18-40-41(71-50)17-39(68-40)35(63)25-62/h26,28-29,31-48,50-58,62-63H,2,5,7-25H2,1,3-4,6H3
C61H86O191123.32417600
10307498

30 of 33 defined stereocentres - 30/33 defined
InChI=1/C61H86O19/c1-26-13-32-7-9-36-27(2)14-34(65-36)11-12-59-23-47-55(79-59)56-57(73-47)58(80-59)54-37(70-56)10-8-33(67-54)15-49(64)74-53-31(6)52-44(69-43(53)16-38(66-32)30(26)5)19-42-46(72-52)22-61(75-42)24-48-51(78-61)29(4)21-60(77-48)20-28(3)50-45(76-60)18-40-41(71-50)17-39(68-40)35(63)25-62/h26,28-29,31-48,50-58,62-63H,2,5,7-25H2,1,3-4,6H3/t26-,28+,29+,31+,32+,33-,34+,35?,36+,37+,38-,39?,40-,41-,42-,43+,44+,45+,46-,47-,48+,50+,51+,52+,53-,54+,55+,56+,57+,58?,59+,60-,61+/m1/s1
C61H86O191123.32412200
24687833

31 of 33 defined stereocentres - 31/33 defined
InChI=1/C61H86O19/c1-26-13-32-7-9-36-27(2)14-34(65-36)11-12-59-23-47-55(79-59)56-57(73-47)58(80-59)54-37(70-56)10-8-33(67-54)15-49(64)74-53-31(6)52-44(69-43(53)16-38(66-32)30(26)5)19-42-46(72-52)22-61(75-42)24-48-51(78-61)29(4)21-60(77-48)20-28(3)50-45(76-60)18-40-41(71-50)17-39(68-40)35(63)25-62/h26,28-29,31-48,50-58,62-63H,2,5,7-25H2,1,3-4,6H3/t26-,28+,29+,31+,32+,33-,34+,35?,36+,37+,38-,39?,40-,41-,42-,43+,44+,45+,46-,47-,48+,50+,51+,52+,53-,54+,55+,56+,57-,58+,59+,60-,61+/m1/s1
C61H86O191123.32412200
27025210

33 of 33 defined stereocentres - 33/33 defined
InChI=1/C61H86O19/c1-26-13-32-7-9-36-27(2)14-34(65-36)11-12-59-23-47-55(79-59)56-57(73-47)58(80-59)54-37(70-56)10-8-33(67-54)15-49(64)74-53-31(6)52-44(69-43(53)16-38(66-32)30(26)5)19-42-46(72-52)22-61(75-42)24-48-51(78-61)29(4)21-60(77-48)20-28(3)50-45(76-60)18-40-41(71-50)17-39(68-40)35(63)25-62/h26,28-29,31-48,50-58,62-63H,2,5,7-25H2,1,3-4,6H3/t26-,28+,29+,31+,32+,33-,34+,35-,36+,37+,38-,39-,40-,41-,42-,43+,44+,45+,46-,47-,48+,50+,51+,52+,53-,54+,55+,56+,57-,58+,59+,60-,61+/m1/s1
C61H86O191123.32412200
30810119

22 of 33 defined stereocentres - 22/33 defined
InChI=1/C61H86O19/c1-26-13-32-7-9-36-27(2)14-34(65-36)11-12-59-23-47-55(79-59)56-57(73-47)58(80-59)54-37(70-56)10-8-33(67-54)15-49(64)74-53-31(6)52-44(69-43(53)16-38(66-32)30(26)5)19-42-46(72-52)22-61(75-42)24-48-51(78-61)29(4)21-60(77-48)20-28(3)50-45(76-60)18-40-41(71-50)17-39(68-40)35(63)25-62/h26,28-29,31-48,50-58,62-63H,2,5,7-25H2,1,3-4,6H3/t26-,28+,29-,31+,32+,33-,34?,35?,36+,37+,38-,39?,40?,41?,42?,43+,44?,45+,46?,47+,48+,50+,51+,52?,53?,54+,55-,56?,57-,58+,59+,60-,61+/m1/s1
C61H86O191123.32411100

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