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: KGNJETDQGQBSEF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
112133

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C21H29FO2/c1-12-9-18-17-5-3-13-10-14(23)4-6-15(13)16(17)7-8-21(18,2)20(12)19(24)11-22/h10,12,15-18,20H,3-9,11H2,1-2H3/t12-,15+,16-,17-,18+,20-,21+/m1/s1/i22-1
C21H2918FO2331.45474400
397399

2 of 7 defined stereocentres - 2/7 defined

Non-standard isotope
InChI=1/C21H29FO2/c1-12-9-18-17-5-3-13-10-14(23)4-6-15(13)16(17)7-8-21(18,2)20(12)19(24)11-22/h10,12,15-18,20H,3-9,11H2,1-2H3/t12-,15?,16?,17?,18?,20?,21+/m1/s1/i22-1
C21H2918FO2331.45472200
10442935

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C21H29FO2/c1-12-9-18-17-5-3-13-10-14(23)4-6-15(13)16(17)7-8-21(18,2)20(12)19(24)11-22/h10,12,15-18,20H,3-9,11H2,1-2H3
C21H29FO2332.45221100
19981250

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C21H29FO2/c1-12-9-18-17-5-3-13-10-14(23)4-6-15(13)16(17)7-8-21(18,2)20(12)19(24)11-22/h10,12,15-18,20H,3-9,11H2,1-2H3/t12?,15-,16+,17+,18-,20+,21-/m0/s1
C21H29FO2332.45221100

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