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 7 results

Search term: XMSWGYQEWPUOKA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
19200

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H25NO2/c1-16-21(2,18-10-6-11-19(23)14-18)12-7-13-22(16)15-20(24)17-8-4-3-5-9-17/h3-6,8-11,14,16,23H,7,12-13,15H2,1-2H3
C21H25NO2323.4287232400
21219387

Charge

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H25NO2/c1-16-21(2,18-10-6-11-19(23)14-18)12-7-13-22(16)15-20(24)17-8-4-3-5-9-17/h3-6,8-11,14,16,23H,7,12-13,15H2,1-2H3/p+1/t16-,21+/m0/s1
C21H26NO2324.43611100
21220829

Charge

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H25NO2/c1-16-21(2,18-10-6-11-19(23)14-18)12-7-13-22(16)15-20(24)17-8-4-3-5-9-17/h3-6,8-11,14,16,23H,7,12-13,15H2,1-2H3/p+1/t16-,21+/m1/s1
C21H26NO2324.43611100
34992365

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H25NO2/c1-16-21(2,18-10-6-11-19(23)14-18)12-7-13-22(16)15-20(24)17-8-4-3-5-9-17/h3-6,8-11,14,16,23H,7,12-13,15H2,1-2H3/t16-,21+/m0/s1
C21H25NO2323.42871100
34992366

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H25NO2/c1-16-21(2,18-10-6-11-19(23)14-18)12-7-13-22(16)15-20(24)17-8-4-3-5-9-17/h3-6,8-11,14,16,23H,7,12-13,15H2,1-2H3/t16-,21+/m1/s1
C21H25NO2323.42871100
34992367

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H25NO2/c1-16-21(2,18-10-6-11-19(23)14-18)12-7-13-22(16)15-20(24)17-8-4-3-5-9-17/h3-6,8-11,14,16,23H,7,12-13,15H2,1-2H3/t16-,21-/m1/s1
C21H25NO2323.42871100
34992368

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H25NO2/c1-16-21(2,18-10-6-11-19(23)14-18)12-7-13-22(16)15-20(24)17-8-4-3-5-9-17/h3-6,8-11,14,16,23H,7,12-13,15H2,1-2H3/t16-,21-/m0/s1
C21H25NO2323.42871100

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