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 5 results

Search term: QWMBISUDXDWQJQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10048498

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H27NO2/c24-22(15-18-9-5-8-17-7-1-2-11-20(17)18)25-16-19-10-6-14-23-13-4-3-12-21(19)23/h1-2,5,7-9,11,19,21H,3-4,6,10,12-16H2/t19-,21+/m1/s1
C22H27NO2337.455313900
791722

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H27NO2/c24-22(15-18-9-5-8-17-7-1-2-11-20(17)18)25-16-19-10-6-14-23-13-4-3-12-21(19)23/h1-2,5,7-9,11,19,21H,3-4,6,10,12-16H2/t19-,21-/m0/s1
C22H27NO2337.45532100
2937681

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C22H27NO2/c24-22(15-18-9-5-8-17-7-1-2-11-20(17)18)25-16-19-10-6-14-23-13-4-3-12-21(19)23/h1-2,5,7-9,11,19,21H,3-4,6,10,12-16H2
C22H27NO2337.455282100
10034958

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H27NO2/c24-22(15-18-9-5-8-17-7-1-2-11-20(17)18)25-16-19-10-6-14-23-13-4-3-12-21(19)23/h1-2,5,7-9,11,19,21H,3-4,6,10,12-16H2/p+1/t19-,21-/m0/s1
C22H28NO2338.46271100
10048497

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H27NO2/c24-22(15-18-9-5-8-17-7-1-2-11-20(17)18)25-16-19-10-6-14-23-13-4-3-12-21(19)23/h1-2,5,7-9,11,19,21H,3-4,6,10,12-16H2/p+1/t19-,21+/m1/s1
C22H28NO2338.46271100

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