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 2 results

Search term: FEJFNBDTCWVCLW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9095256

Double-bond stereo

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C45H73NO15/c1-10-34(49)59-42-29(5)56-36(25-45(42,6)53)60-39-28(4)57-44(38(51)37(39)46(7)8)61-40-31(21-22-47)23-26(2)32(48)20-16-11-13-17-27(3)55-35(50)24-33(41(40)54-9)58-43(52)30-18-14-12-15-19-30/h11,13,16,20,22,26-33,36-42,44,48,51,53H,10,12,14-15,17-19,21,23-25H2,1-9H3/b13-11+,20-16+/t26-,27-,28-,29+,31+,32+,33-,36+,37-,38-,39-,40+,41+,42+,44+,45-/m1/s1
C45H73NO15868.05882100
9322390

Double-bond stereo

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C45H73NO15/c1-10-34(49)59-42-29(5)56-36(25-45(42,6)53)60-39-28(4)57-44(38(51)37(39)46(7)8)61-40-31(21-22-47)23-26(2)32(48)20-16-11-13-17-27(3)55-35(50)24-33(41(40)54-9)58-43(52)30-18-14-12-15-19-30/h11,13,16,20,22,26-33,36-42,44,48,51,53H,10,12,14-15,17-19,21,23-25H2,1-9H3/b13-11+,20-16+/t26-,27-,28-,29+,31+,32+,33+,36+,37-,38-,39-,40+,41+,42+,44+,45-/m1/s1
C45H73NO15868.05882100

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