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: UBJVONHSINYSFK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
57462471

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C38H50N6O9S/c1-54-20-16-27(39)33(47)40-28(21-23-8-12-25(45)13-9-23)35(49)43-18-3-6-31(43)37(51)44-19-4-7-32(44)36(50)42-17-2-5-30(42)34(48)41-29(38(52)53)22-24-10-14-26(46)15-11-24/h8-15,27-32,45-46H,2-7,16-22,39H2,1H3,(H,40,47)(H,41,48)(H,52,53)
C38H50N6O9S766.90341100
57534503

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C38H50N6O9S/c1-54-20-16-27(39)33(47)40-28(21-23-8-12-25(45)13-9-23)35(49)43-18-3-6-31(43)37(51)44-19-4-7-32(44)36(50)42-17-2-5-30(42)34(48)41-29(38(52)53)22-24-10-14-26(46)15-11-24/h8-15,27-32,45-46H,2-7,16-22,39H2,1H3,(H,40,47)(H,41,48)(H,52,53)/t27-,28-,29-,30-,31-,32-/m0/s1
C38H50N6O9S766.90341100

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