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 4 results

Search term: UEEVFDRZQAFDKU (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8572046

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C62H84N12O17/c1-25(2)43-59(85)73-29(8)19-21-36(73)57(83)69(14)24-40(77)72(17)49(27(5)6)62(88)90-34(13)45(55(81)65-43)67-53(79)35-20-18-28(7)51-47(35)64-48-41(42(63)50(78)30(9)52(48)91-51)54(80)68-46-33(12)89-61(87)32(11)71(16)39(76)23-70(15)58(84)37-22-38(75)31(10)74(37)60(86)44(26(3)4)66-56(46)82/h18,20,25-27,29,31-34,36-37,43-46,49H,19,21-24,63H2,1-17H3,(H,65,81)(H,66,82)(H,67,79)(H,68,80)/t29?,31?,32-,33+,34+,36-,37-,43-,44-,45-,46-,49-/m0/s1
C62H84N12O171269.40062100
9979126

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C62H84N12O17/c1-25(2)43-59(85)73-29(8)19-21-36(73)57(83)69(14)24-40(77)72(17)49(27(5)6)62(88)90-34(13)45(55(81)65-43)67-53(79)35-20-18-28(7)51-47(35)64-48-41(42(63)50(78)30(9)52(48)91-51)54(80)68-46-33(12)89-61(87)32(11)71(16)39(76)23-70(15)58(84)37-22-38(75)31(10)74(37)60(86)44(26(3)4)66-56(46)82/h18,20,25-27,29,31-34,36-37,43-46,49H,19,21-24,63H2,1-17H3,(H,65,81)(H,66,82)(H,67,79)(H,68,80)/t29?,31?,32-,33+,34+,36-,37-,43+,44+,45-,46-,49-/m0/s1
C62H84N12O171269.40062100
13109689

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C62H84N12O17/c1-25(2)43-59(85)73-29(8)19-21-36(73)57(83)69(14)24-40(77)72(17)49(27(5)6)62(88)90-34(13)45(55(81)65-43)67-53(79)35-20-18-28(7)51-47(35)64-48-41(42(63)50(78)30(9)52(48)91-51)54(80)68-46-33(12)89-61(87)32(11)71(16)39(76)23-70(15)58(84)37-22-38(75)31(10)74(37)60(86)44(26(3)4)66-56(46)82/h18,20,25-27,29,31-34,36-37,43-46,49H,19,21-24,63H2,1-17H3,(H,65,81)(H,66,82)(H,67,79)(H,68,80)/t29?,31?,32-,33+,34+,36+,37+,43+,44-,45-,46-,49+/m1/s1
C62H84N12O171269.40061100
78445441

8 of 12 defined stereocentres - 8/12 defined
InChI=1/C62H84N12O17/c1-25(2)43-59(85)73-29(8)19-21-36(73)57(83)69(14)24-40(77)72(17)49(27(5)6)62(88)90-34(13)45(55(81)65-43)67-53(79)35-20-18-28(7)51-47(35)64-48-41(42(63)50(78)30(9)52(48)91-51)54(80)68-46-33(12)89-61(87)32(11)71(16)39(76)23-70(15)58(84)37-22-38(75)31(10)74(37)60(86)44(26(3)4)66-56(46)82/h18,20,25-27,29,31-34,36-37,43-46,49H,19,21-24,63H2,1-17H3,(H,65,81)(H,66,82)(H,67,79)(H,68,80)/t29?,31?,32-,33?,34?,36-,37-,43+,44+,45-,46-,49-/m0/s1
C62H84N12O171269.40061100

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