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: WXWXXMJTEJBNKM (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10041331

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C27H33N3O3S2/c1-26-11-10-22(32)27(2,16-31)21(26)14-20-24(30-25(35-20)29-17-7-4-3-5-8-17)19(26)13-23(33)28-15-18-9-6-12-34-18/h3-9,12,19,21-22,31-32H,10-11,13-16H2,1-2H3,(H,28,33)(H,29,30)/t19-,21+,22-,26+,27+/m1/s1
C27H33N3O3S2511.69925200
2721719

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C27H33N3O3S2/c1-26-11-10-22(32)27(2,16-31)21(26)14-20-24(30-25(35-20)29-17-7-4-3-5-8-17)19(26)13-23(33)28-15-18-9-6-12-34-18/h3-9,12,19,21-22,31-32H,10-11,13-16H2,1-2H3,(H,28,33)(H,29,30)
C27H33N3O3S2511.699222100

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