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 6 results

Search term: JFAVRSZLHCCUEK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
117428

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C21H31NO2/c1-22-18-11-13-19(22)20(14-12-18)24-15-21(23,17-9-5-6-10-17)16-7-3-2-4-8-16/h2-4,7-8,17-20,23H,5-6,9-15H2,1H3
C21H31NO2329.47639800
8217796

1 of 4 defined stereocentres - 1/4 defined
InChI=1/C21H31NO2/c1-22-18-11-13-19(22)20(14-12-18)24-15-21(23,17-9-5-6-10-17)16-7-3-2-4-8-16/h2-4,7-8,17-20,23H,5-6,9-15H2,1H3/t18?,19?,20-,21?/m0/s1
C21H31NO2329.47632100
8512159

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C21H31NO2/c1-22-18-11-13-19(22)20(14-12-18)24-15-21(23,17-9-5-6-10-17)16-7-3-2-4-8-16/h2-4,7-8,17-20,23H,5-6,9-15H2,1H3/t18?,19-,20+,21-/m0/s1
C21H31NO2329.47632100
8512160

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C21H31NO2/c1-22-18-11-13-19(22)20(14-12-18)24-15-21(23,17-9-5-6-10-17)16-7-3-2-4-8-16/h2-4,7-8,17-20,23H,5-6,9-15H2,1H3/t18?,19-,20+,21+/m0/s1
C21H31NO2329.47632100
8557372

1 of 4 defined stereocentres - 1/4 defined
InChI=1/C21H31NO2/c1-22-18-11-13-19(22)20(14-12-18)24-15-21(23,17-9-5-6-10-17)16-7-3-2-4-8-16/h2-4,7-8,17-20,23H,5-6,9-15H2,1H3/t18?,19?,20-,21?/m1/s1
C21H31NO2329.47632100
8557373

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C21H31NO2/c1-22-18-11-13-19(22)20(14-12-18)24-15-21(23,17-9-5-6-10-17)16-7-3-2-4-8-16/h2-4,7-8,17-20,23H,5-6,9-15H2,1H3/t18?,19-,20-,21+/m1/s1
C21H31NO2329.47632100

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