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 4 results

Search term: QAADEDKZKKRMIM (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
58783883

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C21H28O3/c1-3-19-10-7-14-13(15(19)9-11-20(19,23)4-2)8-12-21-16(14)5-6-17(22)18(21)24-21/h2,13-16,18,23H,3,5-12H2,1H3/t13-,14+,15+,16-,18?,19+,20+,21?/m1/s1
C21H28O3328.44524800
56649

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C21H28O3/c1-3-19-10-7-14-13(15(19)9-11-20(19,23)4-2)8-12-21-16(14)5-6-17(22)18(21)24-21/h2,13-16,18,23H,3,5-12H2,1H3/t13-,14+,15+,16-,18-,19?,20?,21?/m1/s1
C21H28O3328.44522200
149504

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C21H28O3/c1-3-19-10-7-14-13(15(19)9-11-20(19,23)4-2)8-12-21-16(14)5-6-17(22)18(21)24-21/h2,13-16,18,23H,3,5-12H2,1H3/t13-,14+,15+,16-,18?,19?,20?,21-/m1/s1
C21H28O3328.44522200
21782036

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H28O3/c1-3-19-10-7-14-13(15(19)9-11-20(19,23)4-2)8-12-21-16(14)5-6-17(22)18(21)24-21/h2,13-16,18,23H,3,5-12H2,1H3/t13-,14+,15+,16-,18+,19+,20-,21-/m1/s1
C21H28O3328.44521100

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