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: YLNNCKCXIGOGLJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8899733

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C54H76N2O9/c1-26-45-40(62-52(26)15-14-46(3,4)64-52)18-34-30-12-10-28-16-36-38(22-48(28,6)32(30)19-41(58)50(34,45)8)55-37-17-29-11-13-31-33(49(29,7)23-39(37)56-36)20-42(59)51(9)35(31)21-44-53(51,61)27(2)54(63-44)43(60)24-47(5,25-57)65-54/h18,21,26-33,40-45,57-61H,10-17,19-20,22-25H2,1-9H3/t26-,27-,28-,29-,30+,31+,32-,33-,40-,41+,42+,43+,44-,45-,47-,48-,49-,50+,51+,52-,53+,54-/m0/s1
C54H76N2O9897.18924300
8209254

20 of 22 defined stereocentres - 20/22 defined
InChI=1/C54H76N2O9/c1-26-45-40(62-52(26)15-14-46(3,4)64-52)18-34-30-12-10-28-16-36-38(22-48(28,6)32(30)19-41(58)50(34,45)8)55-37-17-29-11-13-31-33(49(29,7)23-39(37)56-36)20-42(59)51(9)35(31)21-44-53(51,61)27(2)54(63-44)43(60)24-47(5,25-57)65-54/h18,21,26-33,40-45,57-61H,10-17,19-20,22-25H2,1-9H3/t26-,27-,28-,29-,30+,31+,32-,33-,40?,41+,42+,43+,44-,45-,47-,48-,49-,50+,51+,52?,53+,54-/m0/s1
C54H76N2O9897.18922100
58859333

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C54H76N2O9/c1-26-45-40(62-52(26)15-14-46(3,4)64-52)18-34-30-12-10-28-16-36-38(22-48(28,6)32(30)19-41(58)50(34,45)8)55-37-17-29-11-13-31-33(49(29,7)23-39(37)56-36)20-42(59)51(9)35(31)21-44-53(51,61)27(2)54(63-44)43(60)24-47(5,25-57)65-54/h18,21,26-33,40-45,57-61H,10-17,19-20,22-25H2,1-9H3/t26-,27-,28-,29-,30+,31+,32-,33-,40-,41+,42+,43+,44-,45-,47+,48-,49-,50+,51+,52-,53+,54-/m0/s1
C54H76N2O9897.18922200
23176256

10 of 22 defined stereocentres - 10/22 defined
InChI=1/C54H76N2O9/c1-26-45-40(62-52(26)15-14-46(3,4)64-52)18-34-30-12-10-28-16-36-38(22-48(28,6)32(30)19-41(58)50(34,45)8)55-37-17-29-11-13-31-33(49(29,7)23-39(37)56-36)20-42(59)51(9)35(31)21-44-53(51,61)27(2)54(63-44)43(60)24-47(5,25-57)65-54/h18,21,26-33,40-45,57-61H,10-17,19-20,22-25H2,1-9H3/t26-,27-,28?,29?,30?,31?,32?,33?,40?,41+,42+,43+,44?,45?,47-,48-,49-,50+,51+,52?,53?,54?/m0/s1
C54H76N2O9897.18921100

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