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 2 results

Search term: JATPTFBVJCFRQM (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
28190765

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C36H53N7O6/c1-5-10-26(29(44)33(47)40-23-15-16-23)43(34(48)28-24-14-9-13-22(24)19-39-28)35(49)30(36(2,3)4)42-32(46)27(21-11-7-6-8-12-21)41-31(45)25-20-37-17-18-38-25/h17-18,20-24,26-28,30,39H,5-16,19H2,1-4H3,(H,40,47)(H,41,45)(H,42,46)/t22-,24-,26-,27-,28-,30+/m0/s1
C36H53N7O6679.84936200
57647189

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C36H53N7O6/c1-5-10-26(29(44)33(47)40-23-15-16-23)43(34(48)28-24-14-9-13-22(24)19-39-28)35(49)30(36(2,3)4)42-32(46)27(21-11-7-6-8-12-21)41-31(45)25-20-37-17-18-38-25/h17-18,20-24,26-28,30,39H,5-16,19H2,1-4H3,(H,40,47)(H,41,45)(H,42,46)/t22-,24-,26+,27-,28-,30+/m0/s1
C36H53N7O6679.84932200

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