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
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Found 3 results

Search term: LYHKPYMKVNRXAJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24739364

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C41H31Cl4N3O3/c1-26(27-11-5-2-6-12-27)48-24-31(21-30-17-18-32(42)22-35(30)44)41(49-39(47-51-41)29-15-9-4-10-16-29)40(25-48)37(34-20-19-33(43)23-36(34)45)38(46-50-40)28-13-7-3-8-14-28/h2-23,26,37H,24-25H2,1H3/b31-21+/t26-,37-,40-,41+/m1/s1
C41H31Cl4N3O3755.51511200
34542568

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C41H31Cl4N3O3/c1-26(27-11-5-2-6-12-27)48-24-31(21-30-17-18-32(42)22-35(30)44)41(49-39(47-51-41)29-15-9-4-10-16-29)40(25-48)37(34-20-19-33(43)23-36(34)45)38(46-50-40)28-13-7-3-8-14-28/h2-23,26,37H,24-25H2,1H3/b31-21-/t26-,37-,40?,41+/m1/s1
C41H31Cl4N3O3755.51511100
34542577

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C41H31Cl4N3O3/c1-26(27-11-5-2-6-12-27)48-24-31(21-30-17-18-32(42)22-35(30)44)41(49-39(47-51-41)29-15-9-4-10-16-29)40(25-48)37(34-20-19-33(43)23-36(34)45)38(46-50-40)28-13-7-3-8-14-28/h2-23,26,37H,24-25H2,1H3/b31-21+/t26-,37+,40+,41-/m1/s1
C41H31Cl4N3O3755.51511100

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