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: GJIUTYOYVZMUPT (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8117021

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C53H78O20/c1-25-14-19-53(63-22-25)26(2)42-39(73-53)21-38-36-13-12-34-20-35(15-17-51(34,10)37(36)16-18-52(38,42)11)69-49-47(67-32(8)59)46(66-31(7)58)44(41(70-49)24-62-28(4)55)72-50-48(68-33(9)60)45(65-30(6)57)43(64-29(5)56)40(71-50)23-61-27(3)54/h25-26,34-50H,12-24H2,1-11H3/t25-,26+,34+,35+,36-,37+,38+,39+,40-,41-,42+,43-,44-,45+,46+,47-,48-,49-,50+,51+,52+,53-/m1/s1
C53H78O201035.17442100
8781442

19 of 22 defined stereocentres - 19/22 defined
InChI=1/C53H78O20/c1-25-14-19-53(63-22-25)26(2)42-39(73-53)21-38-36-13-12-34-20-35(15-17-51(34,10)37(36)16-18-52(38,42)11)69-49-47(67-32(8)59)46(66-31(7)58)44(41(70-49)24-62-28(4)55)72-50-48(68-33(9)60)45(65-30(6)57)43(64-29(5)56)40(71-50)23-61-27(3)54/h25-26,34-50H,12-24H2,1-11H3/t25-,26-,34?,35-,36+,37-,38-,39?,40+,41+,42?,43+,44+,45-,46-,47+,48+,49+,50-,51-,52-,53+/m0/s1
C53H78O201035.17442100
10141536

20 of 22 defined stereocentres - 20/22 defined
InChI=1/C53H78O20/c1-25-14-19-53(63-22-25)26(2)42-39(73-53)21-38-36-13-12-34-20-35(15-17-51(34,10)37(36)16-18-52(38,42)11)69-49-47(67-32(8)59)46(66-31(7)58)44(41(70-49)24-62-28(4)55)72-50-48(68-33(9)60)45(65-30(6)57)43(64-29(5)56)40(71-50)23-61-27(3)54/h25-26,34-50H,12-24H2,1-11H3/t25-,26+,34+,35+,36-,37+,38+,39?,40-,41-,42?,43-,44-,45+,46+,47-,48-,49-,50+,51+,52+,53-/m1/s1
C53H78O201035.17442100
74038420

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C53H78O20/c1-25-14-19-53(63-22-25)26(2)42-39(73-53)21-38-36-13-12-34-20-35(15-17-51(34,10)37(36)16-18-52(38,42)11)69-49-47(67-32(8)59)46(66-31(7)58)44(41(70-49)24-62-28(4)55)72-50-48(68-33(9)60)45(65-30(6)57)43(64-29(5)56)40(71-50)23-61-27(3)54/h25-26,34-50H,12-24H2,1-11H3/t25-,26+,34+,35+,36-,37+,38+,39+,40-,41-,42+,43-,44-,45+,46+,47-,48-,49+,50+,51+,52+,53-/m1/s1
C53H78O201035.17441100

Advertisement